Not named

AlkaPlorer ID: AK083634

Synonym: None

IUPAC Name: (6Z,6aS)-6-[(E)-4-(1H-indol-3-yl)-2-oxobut-3-enylidene]-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-11-one

Structure

SMILES: O=C(/C=C1\NC2=CC=CC=C2C(=O)N2CCC[C@@H]12)/C=C/C1=CNC2=CC=CC=C12

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InChI: InChI=1S/C24H21N3O2/c28-17(12-11-16-15-25-20-8-3-1-6-18(16)20)14-22-23-10-5-13-27(23)24(29)19-7-2-4-9-21(19)26-22/h1-4,6-9,11-12,14-15,23,25-26H,5,10,13H2/b12-11+,22-14-/t23-/m0/s1

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InChIKey: NYQWWRQVZXCLIH-NLLZLTKUSA-N

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Properties Information

Molecule Weight: 383.451

TPSA: 65.2

MolLogP: 4.364400000000003

Number of H-Donors: 2

Number of H-Acceptors: 3

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information