[2-oxidanylidene-2-[[4-[4-(phenylmethyl)piperazin-1-yl]phenyl]amino]ethyl] 1-methylindole-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-[[4-[4-(phenylmethyl)piperazin-1-yl]phenyl]amino]ethyl] 1-methylindole-3-carboxylate Openeye Name: [2-[4-(4-benzylpiperazin-1-yl)anilino]-2-oxo-ethyl] 1-methylindole-3-carboxylate CAS Name: 1-methyl-3-indolecarboxylic acid [2-oxo-2-[4-[4-(phenylmethyl)-1-piperazinyl]anilino]ethyl] ester IUPAC Name: [2-[4-(4-benzylpiperazin-1-yl)anilino]-2-oxoethyl] 1-methylindole-3-carboxylate Traditional Name: 1-methylindole-3-carboxylic acid [2-[4-(4-benzylpiperazino)anilino]-2-keto-ethyl] ester Formula: C29H30N4O3 MolecularWeight: 482.5735

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=CC=CC=C21)C(=O)OCC(=O)NC3=CC=C(C=C3)N4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

CN1C=C(C2=CC=CC=C21)C(=O)OCC(=O)NC3=CC=C(C=C3)N4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C29H30N4O3/c1-31-20-26(25-9-5-6-10-27(25)31)29(35)36-21-28(34)30-23-11-13-24(14-12-23)33-17-15-32(16-18-33)19-22-7-3-2-4-8-22/h2-14,20H,15-19,21H2,1H3,(H,30,34)