4-cyano-N-({4-methyl-11-oxa-1,8-diazatricyclo[7.4.0.0²,?]trideca-2,4,6,8-tetraen-13-yl}methyl)benzamide
AlkaPlorer ID: AK408310
Synonym: None
IUPAC Name: 4-cyano-N-[(7-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl)methyl]benzamide
Structure
SMILES: CC1=CC=C2N=C3COCC(CNC(=O)C4=CC=C(C#N)C=C4)N3C2=C1
InChI: InChI=1S/C20H18N4O2/c1-13-2-7-17-18(8-13)24-16(11-26-12-19(24)23-17)10-22-20(25)15-5-3-14(9-21)4-6-15/h2-8,16H,10-12H2,1H3,(H,22,25)
InChIKey: ICNLCUDSBPFQHG-UHFFFAOYSA-N
Reference
Xanthienopyran, a novel thienocyclopentapyran in fruits of xanthium pungens
PubChem CID: 163072536
COCONUT: CNP0368560.1
Source
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Properties Information
Molecule Weight: 346.39000000000004
TPSA？: 79.94
MolLogP？: 2.7177000000000007
Number of H-Donors: 1
Number of H-Acceptors: 5
RingCount: 4
Activities Information
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