tert-butyl 2-(3-azanyl-4-oxidanylidene-1-phenyl-2,3-dihydro-1,5-benzodiazepin-5-yl)ethanoate

Systemtic Name: tert-butyl 2-(3-azanyl-4-oxidanylidene-1-phenyl-2,3-dihydro-1,5-benzodiazepin-5-yl)ethanoate Openeye Name: tert-butyl 2-(3-amino-4-oxo-1-phenyl-2,3-dihydro-1,5-benzodiazepin-5-yl)acetate CAS Name: 2-(3-amino-4-oxo-1-phenyl-2,3-dihydro-1,5-benzodiazepin-5-yl)acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-(3-amino-4-oxo-1-phenyl-2,3-dihydro-1,5-benzodiazepin-5-yl)acetate Traditional Name: 2-(3-amino-4-keto-1-phenyl-2,3-dihydro-1,5-benzodiazepin-5-yl)acetic acid tert-butyl ester Formula: C21H25N3O3 MolecularWeight: 367.4415

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN1C2=CC=CC=C2N(CC(C1=O)N)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)CN1C2=CC=CC=C2N(CC(C1=O)N)C3=CC=CC=C3

InChI

InChI=1S/C21H25N3O3/c1-21(2,3)27-19(25)14-24-18-12-8-7-11-17(18)23(13-16(22)20(24)26)15-9-5-4-6-10-15/h4-12,16H,13-14,22H2,1-3H3