3-azanyl-7-chloranyl-5-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-1-[(4-phenylphenyl)methyl]-3,4-dihydro-1,4-benzodiazepin-2-one

Systemtic Name: 3-azanyl-7-chloranyl-5-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-1-[(4-phenylphenyl)methyl]-3,4-dihydro-1,4-benzodiazepin-2-one Openeye Name: 3-amino-7-chloro-5-(4-oxocyclohexa-2,5-dien-1-ylidene)-1-[(4-phenylphenyl)methyl]-3,4-dihydro-1,4-benzodiazepin-2-one CAS Name: 3-amino-7-chloro-5-(4-oxo-1-cyclohexa-2,5-dienylidene)-1-[(4-phenylphenyl)methyl]-3,4-dihydro-1,4-benzodiazepin-2-one IUPAC Name: 3-amino-7-chloro-5-(4-oxocyclohexa-2,5-dien-1-ylidene)-1-[(4-phenylphenyl)methyl]-3,4-dihydro-1,4-benzodiazepin-2-one Traditional Name: 3-amino-7-chloro-5-(4-ketocyclohexa-2,5-dien-1-ylidene)-1-(4-phenylbenzyl)-3,4-dihydro-1,4-benzodiazepin-2-one Formula: C28H22ClN3O2 MolecularWeight: 467.94618

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)CN3C4=C(C=C(C=C4)Cl)C(=C5C=CC(=O)C=C5)NC(C3=O)N

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)CN3C4=C(C=C(C=C4)Cl)C(=C5C=CC(=O)C=C5)NC(C3=O)N

InChI

InChI=1S/C28H22ClN3O2/c29-22-12-15-25-24(16-22)26(21-10-13-23(33)14-11-21)31-27(30)28(34)32(25)17-18-6-8-20(9-7-18)19-4-2-1-3-5-19/h1-16,27,31H,17,30H2