methyl 3-[4-[4-(2-cyanophenyl)piperazin-1-yl]butyl]-1H-indole-5-carboxylate

Systemtic Name: methyl 3-[4-[4-(2-cyanophenyl)piperazin-1-yl]butyl]-1H-indole-5-carboxylate Openeye Name: methyl 3-[4-[4-(2-cyanophenyl)piperazin-1-yl]butyl]-1H-indole-5-carboxylate CAS Name: 3-[4-[4-(2-cyanophenyl)-1-piperazinyl]butyl]-1H-indole-5-carboxylic acid methyl ester IUPAC Name: methyl 3-[4-[4-(2-cyanophenyl)piperazin-1-yl]butyl]-1H-indole-5-carboxylate Traditional Name: 3-[4-[4-(2-cyanophenyl)piperazino]butyl]-1H-indole-5-carboxylic acid methyl ester Formula: C25H28N4O2 MolecularWeight: 416.51542

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)NC=C2CCCCN3CCN(CC3)C4=CC=CC=C4C#N

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)NC=C2CCCCN3CCN(CC3)C4=CC=CC=C4C#N

InChI

InChI=1S/C25H28N4O2/c1-31-25(30)19-9-10-23-22(16-19)21(18-27-23)7-4-5-11-28-12-14-29(15-13-28)24-8-3-2-6-20(24)17-26/h2-3,6,8-10,16,18,27H,4-5,7,11-15H2,1H3