4-(4-tert-butylphenyl)carbonyl-7-chloranyl-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one

Systemtic Name: 4-(4-tert-butylphenyl)carbonyl-7-chloranyl-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one Openeye Name: 4-(4-tert-butylbenzoyl)-7-chloro-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one CAS Name: 4-[(4-tert-butylphenyl)-oxomethyl]-7-chloro-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one IUPAC Name: 4-(4-tert-butylbenzoyl)-7-chloro-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one Traditional Name: 4-(4-tert-butylbenzoyl)-7-chloro-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one Formula: C26H25ClN2O2 MolecularWeight: 432.9419

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)N2CC(=O)NC3=C(C2C4=CC=CC=C4)C=C(C=C3)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)N2CC(=O)NC3=C(C2C4=CC=CC=C4)C=C(C=C3)Cl

InChI

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