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

Systemtic Name: 3-[(4-tert-butylphenyl)methyl]-7-chloranyl-1-methyl-5-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-3,4-dihydro-1,4-benzodiazepin-2-one Openeye Name: 3-[(4-tert-butylphenyl)methyl]-7-chloro-1-methyl-5-(4-oxocyclohexa-2,5-dien-1-ylidene)-3,4-dihydro-1,4-benzodiazepin-2-one CAS Name: 3-[(4-tert-butylphenyl)methyl]-7-chloro-1-methyl-5-(4-oxo-1-cyclohexa-2,5-dienylidene)-3,4-dihydro-1,4-benzodiazepin-2-one IUPAC Name: 3-[(4-tert-butylphenyl)methyl]-7-chloro-1-methyl-5-(4-oxocyclohexa-2,5-dien-1-ylidene)-3,4-dihydro-1,4-benzodiazepin-2-one Traditional Name: 3-(4-tert-butylbenzyl)-7-chloro-5-(4-ketocyclohexa-2,5-dien-1-ylidene)-1-methyl-3,4-dihydro-1,4-benzodiazepin-2-one Formula: C27H27ClN2O2 MolecularWeight: 446.96848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H27ClN2O2/c1-27(2,3)19-9-5-17(6-10-19)15-23-26(32)30(4)24-14-11-20(28)16-22(24)25(29-23)18-7-12-21(31)13-8-18/h5-14,16,23,29H,15H2,1-4H3