tert-butyl 4-[1-methyl-3-[(3-methylphenyl)carbamoylamino]-2-oxidanylidene-3H-1,4-benzodiazepin-5-yl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[1-methyl-3-[(3-methylphenyl)carbamoylamino]-2-oxidanylidene-3H-1,4-benzodiazepin-5-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[1-methyl-3-(m-tolylcarbamoylamino)-2-oxo-3H-1,4-benzodiazepin-5-yl]piperazine-1-carboxylate CAS Name: 4-[1-methyl-3-[[(3-methylanilino)-oxomethyl]amino]-2-oxo-3H-1,4-benzodiazepin-5-yl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[1-methyl-3-[(3-methylphenyl)carbamoylamino]-2-oxo-3H-1,4-benzodiazepin-5-yl]piperazine-1-carboxylate Traditional Name: 4-[2-keto-1-methyl-3-(m-tolylcarbamoylamino)-3H-1,4-benzodiazepin-5-yl]piperazine-1-carboxylic acid tert-butyl ester Formula: C27H34N6O4 MolecularWeight: 506.59666

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)NC2C(=O)N(C3=CC=CC=C3C(=N2)N4CCN(CC4)C(=O)OC(C)(C)C)C

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)NC2C(=O)N(C3=CC=CC=C3C(=N2)N4CCN(CC4)C(=O)OC(C)(C)C)C

InChI

InChI=1S/C27H34N6O4/c1-18-9-8-10-19(17-18)28-25(35)30-22-24(34)31(5)21-12-7-6-11-20(21)23(29-22)32-13-15-33(16-14-32)26(36)37-27(2,3)4/h6-12,17,22H,13-16H2,1-5H3,(H2,28,30,35)