1-[1-(3,3-dimethyl-2-oxidanylidene-pentyl)-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl]-3-(3-methylphenyl)urea

Systemtic Name: 1-[1-(3,3-dimethyl-2-oxidanylidene-pentyl)-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl]-3-(3-methylphenyl)urea Openeye Name: 1-[1-(3,3-dimethyl-2-oxo-pentyl)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-3-(m-tolyl)urea CAS Name: 1-[1-(3,3-dimethyl-2-oxopentyl)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-3-(3-methylphenyl)urea IUPAC Name: 1-[1-(3,3-dimethyl-2-oxopentyl)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-3-(3-methylphenyl)urea Traditional Name: 1-[2-keto-1-(2-keto-3,3-dimethyl-pentyl)-5-phenyl-3H-1,4-benzodiazepin-3-yl]-3-(m-tolyl)urea Formula: C30H32N4O3 MolecularWeight: 496.60008

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)CN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)NC3=CC=CC(=C3)C)C4=CC=CC=C4

Isomeric SMILES

CCC(C)(C)C(=O)CN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)NC3=CC=CC(=C3)C)C4=CC=CC=C4

InChI

InChI=1S/C30H32N4O3/c1-5-30(3,4)25(35)19-34-24-17-10-9-16-23(24)26(21-13-7-6-8-14-21)32-27(28(34)36)33-29(37)31-22-15-11-12-20(2)18-22/h6-18,27H,5,19H2,1-4H3,(H2,31,33,37)