1-[7-chloranyl-1-(3,3-dimethyl-2-oxidanylidene-butyl)-2-oxidanylidene-3-phenyl-1,4-benzodiazepin-3-yl]-3-(3-methylphenyl)urea

Systemtic Name: 1-[7-chloranyl-1-(3,3-dimethyl-2-oxidanylidene-butyl)-2-oxidanylidene-3-phenyl-1,4-benzodiazepin-3-yl]-3-(3-methylphenyl)urea Openeye Name: 1-[7-chloro-1-(3,3-dimethyl-2-oxo-butyl)-2-oxo-3-phenyl-1,4-benzodiazepin-3-yl]-3-(m-tolyl)urea CAS Name: 1-[7-chloro-1-(3,3-dimethyl-2-oxobutyl)-2-oxo-3-phenyl-1,4-benzodiazepin-3-yl]-3-(3-methylphenyl)urea IUPAC Name: 1-[7-chloro-1-(3,3-dimethyl-2-oxobutyl)-2-oxo-3-phenyl-1,4-benzodiazepin-3-yl]-3-(3-methylphenyl)urea Traditional Name: 1-[7-chloro-2-keto-1-(2-keto-3,3-dimethyl-butyl)-3-phenyl-1,4-benzodiazepin-3-yl]-3-(m-tolyl)urea Formula: C29H29ClN4O3 MolecularWeight: 517.01856

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)NC2(C(=O)N(C3=C(C=C(C=C3)Cl)C=N2)CC(=O)C(C)(C)C)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)NC2(C(=O)N(C3=C(C=C(C=C3)Cl)C=N2)CC(=O)C(C)(C)C)C4=CC=CC=C4

InChI

InChI=1S/C29H29ClN4O3/c1-19-9-8-12-23(15-19)32-27(37)33-29(21-10-6-5-7-11-21)26(36)34(18-25(35)28(2,3)4)24-14-13-22(30)16-20(24)17-31-29/h5-17H,18H2,1-4H3,(H2,32,33,37)