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

Systemtic Name: 2-[5,9-dimethyl-3-[(3-methylphenyl)carbamoylamino]-2-oxidanylidene-3H-1,4-benzodiazepin-1-yl]-N-methyl-N-pyridin-2-yl-ethanamide Openeye Name: 2-[5,9-dimethyl-3-(m-tolylcarbamoylamino)-2-oxo-3H-1,4-benzodiazepin-1-yl]-N-methyl-N-(2-pyridyl)acetamide CAS Name: 2-[5,9-dimethyl-3-[[(3-methylanilino)-oxomethyl]amino]-2-oxo-3H-1,4-benzodiazepin-1-yl]-N-methyl-N-(2-pyridinyl)acetamide IUPAC Name: 2-[5,9-dimethyl-3-[(3-methylphenyl)carbamoylamino]-2-oxo-3H-1,4-benzodiazepin-1-yl]-N-methyl-N-pyridin-2-ylacetamide Traditional Name: 2-[2-keto-5,9-dimethyl-3-(m-tolylcarbamoylamino)-3H-1,4-benzodiazepin-1-yl]-N-methyl-N-(2-pyridyl)acetamide Formula: C27H28N6O3 MolecularWeight: 484.54962

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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(C)C4=CC=CC=N4

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)NC2C(=O)N(C3=C(C=CC=C3C)C(=N2)C)CC(=O)N(C)C4=CC=CC=N4

InChI

InChI=1S/C27H28N6O3/c1-17-9-7-11-20(15-17)30-27(36)31-25-26(35)33(16-23(34)32(4)22-13-5-6-14-28-22)24-18(2)10-8-12-21(24)19(3)29-25/h5-15,25H,16H2,1-4H3,(H2,30,31,36)