ethyl 1,5-dimethyl-3-[2-[4-(phenylmethyl)piperazin-1-yl]ethanoylamino]indole-2-carboxylate

Systemtic Name: ethyl 1,5-dimethyl-3-[2-[4-(phenylmethyl)piperazin-1-yl]ethanoylamino]indole-2-carboxylate Openeye Name: ethyl 3-[[2-(4-benzylpiperazin-1-yl)acetyl]amino]-1,5-dimethyl-indole-2-carboxylate CAS Name: 1,5-dimethyl-3-[[1-oxo-2-[4-(phenylmethyl)-1-piperazinyl]ethyl]amino]-2-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[2-(4-benzylpiperazin-1-yl)acetyl]amino]-1,5-dimethylindole-2-carboxylate Traditional Name: 3-[[2-(4-benzylpiperazino)acetyl]amino]-1,5-dimethyl-indole-2-carboxylic acid ethyl ester Formula: C26H32N4O3 MolecularWeight: 448.55728

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N1C)C=CC(=C2)C)NC(=O)CN3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N1C)C=CC(=C2)C)NC(=O)CN3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C26H32N4O3/c1-4-33-26(32)25-24(21-16-19(2)10-11-22(21)28(25)3)27-23(31)18-30-14-12-29(13-15-30)17-20-8-6-5-7-9-20/h5-11,16H,4,12-15,17-18H2,1-3H3,(H,27,31)