(phenylmethyl) 3-[4,5-dimethyl-3,6-bis(oxidanylidene)piperazin-2-yl]indole-1-carboxylate

Systemtic Name: (phenylmethyl) 3-[4,5-dimethyl-3,6-bis(oxidanylidene)piperazin-2-yl]indole-1-carboxylate Openeye Name: benzyl 3-(4,5-dimethyl-3,6-dioxo-piperazin-2-yl)indole-1-carboxylate CAS Name: 3-(4,5-dimethyl-3,6-dioxo-2-piperazinyl)-1-indolecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-(4,5-dimethyl-3,6-dioxopiperazin-2-yl)indole-1-carboxylate Traditional Name: 3-(3,6-diketo-4,5-dimethyl-piperazin-2-yl)indole-1-carboxylic acid benzyl ester Formula: C22H21N3O4 MolecularWeight: 391.41984

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)NC(C(=O)N1C)C2=CN(C3=CC=CC=C32)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC1C(=O)NC(C(=O)N1C)C2=CN(C3=CC=CC=C32)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C22H21N3O4/c1-14-20(26)23-19(21(27)24(14)2)17-12-25(18-11-7-6-10-16(17)18)22(28)29-13-15-8-4-3-5-9-15/h3-12,14,19H,13H2,1-2H3,(H,23,26)