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

Systemtic Name: ethyl 2-[5-ethyl-9-methyl-2-oxidanylidene-3-(phenylmethoxycarbonylamino)-3H-1,4-benzodiazepin-1-yl]ethanoate Openeye Name: ethyl 2-[3-(benzyloxycarbonylamino)-5-ethyl-9-methyl-2-oxo-3H-1,4-benzodiazepin-1-yl]acetate CAS Name: 2-[5-ethyl-9-methyl-2-oxo-3-(phenylmethoxycarbonylamino)-3H-1,4-benzodiazepin-1-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[5-ethyl-9-methyl-2-oxo-3-(phenylmethoxycarbonylamino)-3H-1,4-benzodiazepin-1-yl]acetate Traditional Name: 2-[3-(benzyloxycarbonylamino)-5-ethyl-2-keto-9-methyl-3H-1,4-benzodiazepin-1-yl]acetic acid ethyl ester Formula: C24H27N3O5 MolecularWeight: 437.48828

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(C(=O)N(C2=C1C=CC=C2C)CC(=O)OCC)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCC1=NC(C(=O)N(C2=C1C=CC=C2C)CC(=O)OCC)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C24H27N3O5/c1-4-19-18-13-9-10-16(3)21(18)27(14-20(28)31-5-2)23(29)22(25-19)26-24(30)32-15-17-11-7-6-8-12-17/h6-13,22H,4-5,14-15H2,1-3H3,(H,26,30)