7-chloranyl-1-(3,3-dimethyl-2-oxidanylidene-butyl)-3-[methyl-(3-methylphenyl)amino]-5-phenyl-3H-1,4-benzodiazepin-2-one

Systemtic Name: 7-chloranyl-1-(3,3-dimethyl-2-oxidanylidene-butyl)-3-[methyl-(3-methylphenyl)amino]-5-phenyl-3H-1,4-benzodiazepin-2-one Openeye Name: 7-chloro-3-(N,3-dimethylanilino)-1-(3,3-dimethyl-2-oxo-butyl)-5-phenyl-3H-1,4-benzodiazepin-2-one CAS Name: 7-chloro-3-(N,3-dimethylanilino)-1-(3,3-dimethyl-2-oxobutyl)-5-phenyl-3H-1,4-benzodiazepin-2-one IUPAC Name: 7-chloro-3-(N,3-dimethylanilino)-1-(3,3-dimethyl-2-oxobutyl)-5-phenyl-3H-1,4-benzodiazepin-2-one Traditional Name: 7-chloro-3-(N,3-dimethylanilino)-1-(2-keto-3,3-dimethyl-butyl)-5-phenyl-3H-1,4-benzodiazepin-2-one Formula: C29H30ClN3O2 MolecularWeight: 488.0204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N(C)C2C(=O)N(C3=C(C=C(C=C3)Cl)C(=N2)C4=CC=CC=C4)CC(=O)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC=C1)N(C)C2C(=O)N(C3=C(C=C(C=C3)Cl)C(=N2)C4=CC=CC=C4)CC(=O)C(C)(C)C

InChI

InChI=1S/C29H30ClN3O2/c1-19-10-9-13-22(16-19)32(5)27-28(35)33(18-25(34)29(2,3)4)24-15-14-21(30)17-23(24)26(31-27)20-11-7-6-8-12-20/h6-17,27H,18H2,1-5H3