tert-butyl 2-(3-azanyl-2-oxidanylidene-1-propyl-3H-1,4-benzodiazepin-5-yl)-4,4-dimethyl-piperidine-1-carboxylate

Systemtic Name: tert-butyl 2-(3-azanyl-2-oxidanylidene-1-propyl-3H-1,4-benzodiazepin-5-yl)-4,4-dimethyl-piperidine-1-carboxylate Openeye Name: tert-butyl 2-(3-amino-2-oxo-1-propyl-3H-1,4-benzodiazepin-5-yl)-4,4-dimethyl-piperidine-1-carboxylate CAS Name: 2-(3-amino-2-oxo-1-propyl-3H-1,4-benzodiazepin-5-yl)-4,4-dimethyl-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-(3-amino-2-oxo-1-propyl-3H-1,4-benzodiazepin-5-yl)-4,4-dimethylpiperidine-1-carboxylate Traditional Name: 2-(3-amino-2-keto-1-propyl-3H-1,4-benzodiazepin-5-yl)-4,4-dimethyl-piperidine-1-carboxylic acid tert-butyl ester Formula: C24H36N4O3 MolecularWeight: 428.56764

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=CC=CC=C2C(=NC(C1=O)N)C3CC(CCN3C(=O)OC(C)(C)C)(C)C

Isomeric SMILES

CCCN1C2=CC=CC=C2C(=NC(C1=O)N)C3CC(CCN3C(=O)OC(C)(C)C)(C)C

InChI

InChI=1S/C24H36N4O3/c1-7-13-27-17-11-9-8-10-16(17)19(26-20(25)21(27)29)18-15-24(5,6)12-14-28(18)22(30)31-23(2,3)4/h8-11,18,20H,7,12-15,25H2,1-6H3