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

Systemtic Name: tert-butyl 2-(3-azanyl-2-oxidanylidene-1-propyl-3H-1,4-benzodiazepin-5-yl)piperidine-1-carboxylate Openeye Name: tert-butyl 2-(3-amino-2-oxo-1-propyl-3H-1,4-benzodiazepin-5-yl)piperidine-1-carboxylate CAS Name: 2-(3-amino-2-oxo-1-propyl-3H-1,4-benzodiazepin-5-yl)-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-(3-amino-2-oxo-1-propyl-3H-1,4-benzodiazepin-5-yl)piperidine-1-carboxylate Traditional Name: 2-(3-amino-2-keto-1-propyl-3H-1,4-benzodiazepin-5-yl)piperidine-1-carboxylic acid tert-butyl ester Formula: C22H32N4O3 MolecularWeight: 400.51448

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=CC=CC=C2C(=NC(C1=O)N)C3CCCCN3C(=O)OC(C)(C)C

Isomeric SMILES

CCCN1C2=CC=CC=C2C(=NC(C1=O)N)C3CCCCN3C(=O)OC(C)(C)C

InChI

InChI=1S/C22H32N4O3/c1-5-13-25-16-11-7-6-10-15(16)18(24-19(23)20(25)27)17-12-8-9-14-26(17)21(28)29-22(2,3)4/h6-7,10-11,17,19H,5,8-9,12-14,23H2,1-4H3