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

Systemtic Name: tert-butyl 2-(3-azanyl-2-oxidanylidene-1-propyl-3H-1,4-benzodiazepin-5-yl)-5,5-dimethyl-azepane-1-carboxylate Openeye Name: tert-butyl 2-(3-amino-2-oxo-1-propyl-3H-1,4-benzodiazepin-5-yl)-5,5-dimethyl-azepane-1-carboxylate CAS Name: 2-(3-amino-2-oxo-1-propyl-3H-1,4-benzodiazepin-5-yl)-5,5-dimethyl-1-azepanecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-(3-amino-2-oxo-1-propyl-3H-1,4-benzodiazepin-5-yl)-5,5-dimethylazepane-1-carboxylate Traditional Name: 2-(3-amino-2-keto-1-propyl-3H-1,4-benzodiazepin-5-yl)-5,5-dimethyl-azepane-1-carboxylic acid tert-butyl ester Formula: C25H38N4O3 MolecularWeight: 442.59422

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=CC=CC=C2C(=NC(C1=O)N)C3CCC(CCN3C(=O)OC(C)(C)C)(C)C

Isomeric SMILES

CCCN1C2=CC=CC=C2C(=NC(C1=O)N)C3CCC(CCN3C(=O)OC(C)(C)C)(C)C

InChI

InChI=1S/C25H38N4O3/c1-7-15-28-18-11-9-8-10-17(18)20(27-21(26)22(28)30)19-12-13-25(5,6)14-16-29(19)23(31)32-24(2,3)4/h8-11,19,21H,7,12-16,26H2,1-6H3