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

Systemtic Name: tert-butyl 3-(7-azanyl-3-oxidanylidene-1,2,4,5-tetrahydro-1,4-benzodiazepin-2-yl)propanoate Openeye Name: tert-butyl 3-(7-amino-3-oxo-1,2,4,5-tetrahydro-1,4-benzodiazepin-2-yl)propanoate CAS Name: 3-(7-amino-3-oxo-1,2,4,5-tetrahydro-1,4-benzodiazepin-2-yl)propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-(7-amino-3-oxo-1,2,4,5-tetrahydro-1,4-benzodiazepin-2-yl)propanoate Traditional Name: 3-(7-amino-3-keto-1,2,4,5-tetrahydro-1,4-benzodiazepin-2-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)CCC1C(=O)NCC2=C(N1)C=CC(=C2)N

Isomeric SMILES

CC(C)(C)OC(=O)CCC1C(=O)NCC2=C(N1)C=CC(=C2)N

InChI

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