tert-butyl 3-(7-azanyl-3-oxidanylidene-2,5-dihydro-1H-1,4-benzodiazepin-4-yl)propanoate

Systemtic Name: tert-butyl 3-(7-azanyl-3-oxidanylidene-2,5-dihydro-1H-1,4-benzodiazepin-4-yl)propanoate Openeye Name: tert-butyl 3-(7-amino-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-4-yl)propanoate CAS Name: 3-(7-amino-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-4-yl)propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-(7-amino-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-4-yl)propanoate Traditional Name: 3-(7-amino-3-keto-2,5-dihydro-1H-1,4-benzodiazepin-4-yl)propionic acid tert-butyl ester Formula: C16H23N3O3 MolecularWeight: 305.37212

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCN1CC2=C(C=CC(=C2)N)NCC1=O

Isomeric SMILES

CC(C)(C)OC(=O)CCN1CC2=C(C=CC(=C2)N)NCC1=O

InChI

InChI=1S/C16H23N3O3/c1-16(2,3)22-15(21)6-7-19-10-11-8-12(17)4-5-13(11)18-9-14(19)20/h4-5,8,18H,6-7,9-10,17H2,1-3H3