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

Systemtic Name: 1-butyl-7-chloranyl-5-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-3-propan-2-yl-3,4-dihydro-1,4-benzodiazepin-2-one Openeye Name: 1-butyl-7-chloro-3-isopropyl-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-propan-2-yl-3,4-dihydro-1,4-benzodiazepin-2-one IUPAC Name: 1-butyl-7-chloro-5-(4-oxocyclohexa-2,5-dien-1-ylidene)-3-propan-2-yl-3,4-dihydro-1,4-benzodiazepin-2-one Traditional Name: 1-butyl-7-chloro-3-isopropyl-5-(4-ketocyclohexa-2,5-dien-1-ylidene)-3,4-dihydro-1,4-benzodiazepin-2-one Formula: C22H25ClN2O2 MolecularWeight: 384.8991

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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)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H25ClN2O2/c1-4-5-12-25-19-11-8-16(23)13-18(19)21(15-6-9-17(26)10-7-15)24-20(14(2)3)22(25)27/h6-11,13-14,20,24H,4-5,12H2,1-3H3