1-butyl-7-chloranyl-5-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-3-(phenylmethyl)-3,4-dihydro-1,4-benzodiazepin-2-one

Systemtic Name: 1-butyl-7-chloranyl-5-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-3-(phenylmethyl)-3,4-dihydro-1,4-benzodiazepin-2-one Openeye Name: 3-benzyl-1-butyl-7-chloro-5-(4-oxocyclohexa-2,5-dien-1-ylidene)-3,4-dihydro-1,4-benzodiazepin-2-one CAS Name: 1-butyl-7-chloro-5-(4-oxo-1-cyclohexa-2,5-dienylidene)-3-(phenylmethyl)-3,4-dihydro-1,4-benzodiazepin-2-one IUPAC Name: 3-benzyl-1-butyl-7-chloro-5-(4-oxocyclohexa-2,5-dien-1-ylidene)-3,4-dihydro-1,4-benzodiazepin-2-one Traditional Name: 3-benzyl-1-butyl-7-chloro-5-(4-ketocyclohexa-2,5-dien-1-ylidene)-3,4-dihydro-1,4-benzodiazepin-2-one Formula: C26H25ClN2O2 MolecularWeight: 432.9419

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)Cl)C(=C3C=CC(=O)C=C3)NC(C1=O)CC4=CC=CC=C4

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)Cl)C(=C3C=CC(=O)C=C3)NC(C1=O)CC4=CC=CC=C4

InChI

InChI=1S/C26H25ClN2O2/c1-2-3-15-29-24-14-11-20(27)17-22(24)25(19-9-12-21(30)13-10-19)28-23(26(29)31)16-18-7-5-4-6-8-18/h4-14,17,23,28H,2-3,15-16H2,1H3