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

Systemtic Name: 2-[5,9-dimethyl-3-[(3-methylphenyl)carbamoylamino]-2-oxidanylidene-3H-1,4-benzodiazepin-1-yl]-N,N-bis(2-methylpropyl)ethanamide Openeye Name: 2-[5,9-dimethyl-3-(m-tolylcarbamoylamino)-2-oxo-3H-1,4-benzodiazepin-1-yl]-N,N-diisobutyl-acetamide CAS Name: 2-[5,9-dimethyl-3-[[(3-methylanilino)-oxomethyl]amino]-2-oxo-3H-1,4-benzodiazepin-1-yl]-N,N-bis(2-methylpropyl)acetamide IUPAC Name: 2-[5,9-dimethyl-3-[(3-methylphenyl)carbamoylamino]-2-oxo-3H-1,4-benzodiazepin-1-yl]-N,N-bis(2-methylpropyl)acetamide Traditional Name: N,N-diisobutyl-2-[2-keto-5,9-dimethyl-3-(m-tolylcarbamoylamino)-3H-1,4-benzodiazepin-1-yl]acetamide Formula: C29H39N5O3 MolecularWeight: 505.65166

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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)N(CC(C)C)CC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C29H39N5O3/c1-18(2)15-33(16-19(3)4)25(35)17-34-26-21(6)11-9-13-24(26)22(7)30-27(28(34)36)32-29(37)31-23-12-8-10-20(5)14-23/h8-14,18-19,27H,15-17H2,1-7H3,(H2,31,32,37)