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

Systemtic Name: methyl 3-[4-[4-(3-cyanophenyl)piperazin-1-yl]butyl]-1H-indole-5-carboxylate Openeye Name: methyl 3-[4-[4-(3-cyanophenyl)piperazin-1-yl]butyl]-1H-indole-5-carboxylate CAS Name: 3-[4-[4-(3-cyanophenyl)-1-piperazinyl]butyl]-1H-indole-5-carboxylic acid methyl ester IUPAC Name: methyl 3-[4-[4-(3-cyanophenyl)piperazin-1-yl]butyl]-1H-indole-5-carboxylate Traditional Name: 3-[4-[4-(3-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(=C4)C#N

Isomeric SMILES

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

InChI

InChI=1S/C25H28N4O2/c1-31-25(30)20-8-9-24-23(16-20)21(18-27-24)6-2-3-10-28-11-13-29(14-12-28)22-7-4-5-19(15-22)17-26/h4-5,7-9,15-16,18,27H,2-3,6,10-14H2,1H3