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

Systemtic Name: tert-butyl 2-[3-[(3-methylphenyl)carbamoylamino]-2-oxidanylidene-1-propyl-3H-1,4-benzodiazepin-5-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 2-[3-(m-tolylcarbamoylamino)-2-oxo-1-propyl-3H-1,4-benzodiazepin-5-yl]piperidine-1-carboxylate CAS Name: 2-[3-[[(3-methylanilino)-oxomethyl]amino]-2-oxo-1-propyl-3H-1,4-benzodiazepin-5-yl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[3-[(3-methylphenyl)carbamoylamino]-2-oxo-1-propyl-3H-1,4-benzodiazepin-5-yl]piperidine-1-carboxylate Traditional Name: 2-[2-keto-3-(m-tolylcarbamoylamino)-1-propyl-3H-1,4-benzodiazepin-5-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C30H39N5O4 MolecularWeight: 533.66176

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)NC3=CC=CC(=C3)C)C4CCCCN4C(=O)OC(C)(C)C

Isomeric SMILES

CCCN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)NC3=CC=CC(=C3)C)C4CCCCN4C(=O)OC(C)(C)C

InChI

InChI=1S/C30H39N5O4/c1-6-17-34-23-15-8-7-14-22(23)25(24-16-9-10-18-35(24)29(38)39-30(3,4)5)32-26(27(34)36)33-28(37)31-21-13-11-12-20(2)19-21/h7-8,11-15,19,24,26H,6,9-10,16-18H2,1-5H3,(H2,31,33,37)