7-chloranyl-3-[[3,4-di(propan-2-yl)phenyl]methyl]-5-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-3,4-dihydro-1H-1,4-benzodiazepin-2-one

Systemtic Name: 7-chloranyl-3-[[3,4-di(propan-2-yl)phenyl]methyl]-5-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-3,4-dihydro-1H-1,4-benzodiazepin-2-one Openeye Name: 7-chloro-3-[(3,4-diisopropylphenyl)methyl]-5-(4-oxocyclohexa-2,5-dien-1-ylidene)-3,4-dihydro-1H-1,4-benzodiazepin-2-one CAS Name: 7-chloro-3-[[3,4-di(propan-2-yl)phenyl]methyl]-5-(4-oxo-1-cyclohexa-2,5-dienylidene)-3,4-dihydro-1H-1,4-benzodiazepin-2-one IUPAC Name: 7-chloro-3-[[3,4-di(propan-2-yl)phenyl]methyl]-5-(4-oxocyclohexa-2,5-dien-1-ylidene)-3,4-dihydro-1H-1,4-benzodiazepin-2-one Traditional Name: 7-chloro-3-(3,4-diisopropylbenzyl)-5-(4-ketocyclohexa-2,5-dien-1-ylidene)-3,4-dihydro-1H-1,4-benzodiazepin-2-one Formula: C28H29ClN2O2 MolecularWeight: 460.99506

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=C(C=C1)CC2C(=O)NC3=C(C=C(C=C3)Cl)C(=C4C=CC(=O)C=C4)N2)C(C)C

Isomeric SMILES

CC(C)C1=C(C=C(C=C1)CC2C(=O)NC3=C(C=C(C=C3)Cl)C(=C4C=CC(=O)C=C4)N2)C(C)C

InChI

InChI=1S/C28H29ClN2O2/c1-16(2)22-11-5-18(13-23(22)17(3)4)14-26-28(33)31-25-12-8-20(29)15-24(25)27(30-26)19-6-9-21(32)10-7-19/h5-13,15-17,26,30H,14H2,1-4H3,(H,31,33)