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

Systemtic Name: [2-(4-methyl-2-oxidanylidene-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxidanylidene-ethyl] 2-(1H-indol-3-yl)ethanoate Openeye Name: [2-(4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxo-ethyl] 2-(1H-indol-3-yl)acetate CAS Name: 2-(1H-indol-3-yl)acetic acid [2-(4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxoethyl] 2-(1H-indol-3-yl)acetate Traditional Name: 2-(1H-indol-3-yl)acetic acid [2-keto-2-(2-keto-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)ethyl] ester Formula: C22H21N3O4 MolecularWeight: 391.41984

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NC2=CC=CC=C2N1C(=O)COC(=O)CC3=CNC4=CC=CC=C43

Isomeric SMILES

CC1CC(=O)NC2=CC=CC=C2N1C(=O)COC(=O)CC3=CNC4=CC=CC=C43

InChI

InChI=1S/C22H21N3O4/c1-14-10-20(26)24-18-8-4-5-9-19(18)25(14)21(27)13-29-22(28)11-15-12-23-17-7-3-2-6-16(15)17/h2-9,12,14,23H,10-11,13H2,1H3,(H,24,26)