(phenylmethyl) 2-(7-azanyl-3-oxidanylidene-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl)ethanoate

Systemtic Name: (phenylmethyl) 2-(7-azanyl-3-oxidanylidene-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl)ethanoate Openeye Name: benzyl 2-(7-amino-3-oxo-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl)acetate CAS Name: 2-(7-amino-3-oxo-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl)acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(7-amino-3-oxo-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl)acetate Traditional Name: 2-(7-amino-3-keto-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl)acetic acid benzyl ester Formula: C26H27N3O3 MolecularWeight: 429.51088

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=CC(=C2)N)NC(C(=O)N1CCC3=CC=CC=C3)CC(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1C2=C(C=CC(=C2)N)NC(C(=O)N1CCC3=CC=CC=C3)CC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C26H27N3O3/c27-22-11-12-23-21(15-22)17-29(14-13-19-7-3-1-4-8-19)26(31)24(28-23)16-25(30)32-18-20-9-5-2-6-10-20/h1-12,15,24,28H,13-14,16-18,27H2