ethyl 2-[[4-(cyanomethyl)piperazin-1-yl]methyl]-5-oxidanyl-1-phenyl-indole-3-carboxylate

Systemtic Name: ethyl 2-[[4-(cyanomethyl)piperazin-1-yl]methyl]-5-oxidanyl-1-phenyl-indole-3-carboxylate Openeye Name: ethyl 2-[[4-(cyanomethyl)piperazin-1-yl]methyl]-5-hydroxy-1-phenyl-indole-3-carboxylate CAS Name: 2-[[4-(cyanomethyl)-1-piperazinyl]methyl]-5-hydroxy-1-phenyl-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[4-(cyanomethyl)piperazin-1-yl]methyl]-5-hydroxy-1-phenylindole-3-carboxylate Traditional Name: 2-[[4-(cyanomethyl)piperazino]methyl]-5-hydroxy-1-phenyl-indole-3-carboxylic acid ethyl ester Formula: C24H26N4O3 MolecularWeight: 418.48824

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)O)C3=CC=CC=C3)CN4CCN(CC4)CC#N

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)O)C3=CC=CC=C3)CN4CCN(CC4)CC#N

InChI

InChI=1S/C24H26N4O3/c1-2-31-24(30)23-20-16-19(29)8-9-21(20)28(18-6-4-3-5-7-18)22(23)17-27-14-12-26(11-10-25)13-15-27/h3-9,16,29H,2,11-15,17H2,1H3