10-[(4-chlorophenyl)methyl]-3-methoxy-1-oxidanylidene-2,5-dihydroazepino[3,4-b]indole-4-carbonitrile

Systemtic Name: 10-[(4-chlorophenyl)methyl]-3-methoxy-1-oxidanylidene-2,5-dihydroazepino[3,4-b]indole-4-carbonitrile Openeye Name: 10-[(4-chlorophenyl)methyl]-3-methoxy-1-oxo-2,5-dihydroazepino[3,4-b]indole-4-carbonitrile CAS Name: 10-[(4-chlorophenyl)methyl]-3-methoxy-1-oxo-2,5-dihydroazepino[3,4-b]indole-4-carbonitrile IUPAC Name: 10-[(4-chlorophenyl)methyl]-3-methoxy-1-oxo-2,5-dihydroazepino[3,4-b]indole-4-carbonitrile Traditional Name: 10-(4-chlorobenzyl)-1-keto-3-methoxy-2,5-dihydroazepin[3,4-b]indole-4-carbonitrile Formula: C21H16ClN3O2 MolecularWeight: 377.82364

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(CC2=C(C(=O)N1)N(C3=CC=CC=C23)CC4=CC=C(C=C4)Cl)C#N

Isomeric SMILES

COC1=C(CC2=C(C(=O)N1)N(C3=CC=CC=C23)CC4=CC=C(C=C4)Cl)C#N

InChI

InChI=1S/C21H16ClN3O2/c1-27-21-14(11-23)10-17-16-4-2-3-5-18(16)25(19(17)20(26)24-21)12-13-6-8-15(22)9-7-13/h2-9H,10,12H2,1H3,(H,24,26)