1-[2-[5,9-dimethyl-3-[(3-methylphenyl)carbamoylamino]-2-oxidanylidene-3H-1,4-benzodiazepin-1-yl]ethanoyl]piperidine-3-carboxamide

Systemtic Name: 1-[2-[5,9-dimethyl-3-[(3-methylphenyl)carbamoylamino]-2-oxidanylidene-3H-1,4-benzodiazepin-1-yl]ethanoyl]piperidine-3-carboxamide Openeye Name: 1-[2-[5,9-dimethyl-3-(m-tolylcarbamoylamino)-2-oxo-3H-1,4-benzodiazepin-1-yl]acetyl]piperidine-3-carboxamide CAS Name: 1-[2-[5,9-dimethyl-3-[[(3-methylanilino)-oxomethyl]amino]-2-oxo-3H-1,4-benzodiazepin-1-yl]-1-oxoethyl]-3-piperidinecarboxamide IUPAC Name: 1-[2-[5,9-dimethyl-3-[(3-methylphenyl)carbamoylamino]-2-oxo-3H-1,4-benzodiazepin-1-yl]acetyl]piperidine-3-carboxamide Traditional Name: 1-[2-[2-keto-5,9-dimethyl-3-(m-tolylcarbamoylamino)-3H-1,4-benzodiazepin-1-yl]acetyl]nipecotamide Formula: C27H32N6O4 MolecularWeight: 504.58078

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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)N4CCCC(C4)C(=O)N

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)NC2C(=O)N(C3=C(C=CC=C3C)C(=N2)C)CC(=O)N4CCCC(C4)C(=O)N

InChI

InChI=1S/C27H32N6O4/c1-16-7-4-10-20(13-16)30-27(37)31-25-26(36)33(23-17(2)8-5-11-21(23)18(3)29-25)15-22(34)32-12-6-9-19(14-32)24(28)35/h4-5,7-8,10-11,13,19,25H,6,9,12,14-15H2,1-3H3,(H2,28,35)(H2,30,31,37)