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

Systemtic Name: tert-butyl 4-[3-[(3-methylphenyl)carbamoylamino]-1-(2-methylpropyl)-2-oxidanylidene-3H-1,4-benzodiazepin-5-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[1-isobutyl-3-(m-tolylcarbamoylamino)-2-oxo-3H-1,4-benzodiazepin-5-yl]piperidine-1-carboxylate CAS Name: 4-[3-[[(3-methylanilino)-oxomethyl]amino]-1-(2-methylpropyl)-2-oxo-3H-1,4-benzodiazepin-5-yl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-[(3-methylphenyl)carbamoylamino]-1-(2-methylpropyl)-2-oxo-3H-1,4-benzodiazepin-5-yl]piperidine-1-carboxylate Traditional Name: 4-[1-isobutyl-2-keto-3-(m-tolylcarbamoylamino)-3H-1,4-benzodiazepin-5-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C31H41N5O4 MolecularWeight: 547.68834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)NC2C(=O)N(C3=CC=CC=C3C(=N2)C4CCN(CC4)C(=O)OC(C)(C)C)CC(C)C

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)NC2C(=O)N(C3=CC=CC=C3C(=N2)C4CCN(CC4)C(=O)OC(C)(C)C)CC(C)C

InChI

InChI=1S/C31H41N5O4/c1-20(2)19-36-25-13-8-7-12-24(25)26(22-14-16-35(17-15-22)30(39)40-31(4,5)6)33-27(28(36)37)34-29(38)32-23-11-9-10-21(3)18-23/h7-13,18,20,22,27H,14-17,19H2,1-6H3,(H2,32,34,38)