[9-methyl-2-oxidanylidene-3-(phenylmethoxycarbonylamino)-3,4-dihydro-1,4-benzodiazepin-5-yl]methyl ethanoate

Systemtic Name: [9-methyl-2-oxidanylidene-3-(phenylmethoxycarbonylamino)-3,4-dihydro-1,4-benzodiazepin-5-yl]methyl ethanoate Openeye Name: [3-(benzyloxycarbonylamino)-9-methyl-2-oxo-3,4-dihydro-1,4-benzodiazepin-5-yl]methyl acetate CAS Name: acetic acid [9-methyl-2-oxo-3-(phenylmethoxycarbonylamino)-3,4-dihydro-1,4-benzodiazepin-5-yl]methyl ester IUPAC Name: [9-methyl-2-oxo-3-(phenylmethoxycarbonylamino)-3,4-dihydro-1,4-benzodiazepin-5-yl]methyl acetate Traditional Name: acetic acid [3-(benzyloxycarbonylamino)-2-keto-9-methyl-3,4-dihydro-1,4-benzodiazepin-5-yl]methyl ester Formula: C21H21N3O5 MolecularWeight: 395.40854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C(NC(C(=O)N=C12)NC(=O)OCC3=CC=CC=C3)COC(=O)C

Isomeric SMILES

CC1=CC=CC2=C(NC(C(=O)N=C12)NC(=O)OCC3=CC=CC=C3)COC(=O)C

InChI

InChI=1S/C21H21N3O5/c1-13-7-6-10-16-17(12-28-14(2)25)22-19(20(26)23-18(13)16)24-21(27)29-11-15-8-4-3-5-9-15/h3-10,19,22H,11-12H2,1-2H3,(H,24,27)