2-[5,9-dimethyl-3-[(3-methylphenyl)carbamoylamino]-2-oxidanylidene-3H-1,4-benzodiazepin-1-yl]-N-(2-phenylpropan-2-yl)ethanamide

Systemtic Name: 2-[5,9-dimethyl-3-[(3-methylphenyl)carbamoylamino]-2-oxidanylidene-3H-1,4-benzodiazepin-1-yl]-N-(2-phenylpropan-2-yl)ethanamide Openeye Name: 2-[5,9-dimethyl-3-(m-tolylcarbamoylamino)-2-oxo-3H-1,4-benzodiazepin-1-yl]-N-(1-methyl-1-phenyl-ethyl)acetamide CAS Name: 2-[5,9-dimethyl-3-[[(3-methylanilino)-oxomethyl]amino]-2-oxo-3H-1,4-benzodiazepin-1-yl]-N-(2-phenylpropan-2-yl)acetamide IUPAC Name: 2-[5,9-dimethyl-3-[(3-methylphenyl)carbamoylamino]-2-oxo-3H-1,4-benzodiazepin-1-yl]-N-(2-phenylpropan-2-yl)acetamide Traditional Name: N-cumyl-2-[2-keto-5,9-dimethyl-3-(m-tolylcarbamoylamino)-3H-1,4-benzodiazepin-1-yl]acetamide Formula: C30H33N5O3 MolecularWeight: 511.61472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)NC2C(=O)N(C3=C(C=CC=C3C)C(=N2)C)CC(=O)NC(C)(C)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)NC2C(=O)N(C3=C(C=CC=C3C)C(=N2)C)CC(=O)NC(C)(C)C4=CC=CC=C4

InChI

InChI=1S/C30H33N5O3/c1-19-11-9-15-23(17-19)32-29(38)33-27-28(37)35(26-20(2)12-10-16-24(26)21(3)31-27)18-25(36)34-30(4,5)22-13-7-6-8-14-22/h6-17,27H,18H2,1-5H3,(H,34,36)(H2,32,33,38)