3-[4-[4-(2-cyano-3-methoxy-phenyl)piperazin-1-yl]butyl]-1H-indole-5-carbonitrile hydrochloride

Systemtic Name: 3-[4-[4-(2-cyano-3-methoxy-phenyl)piperazin-1-yl]butyl]-1H-indole-5-carbonitrile hydrochloride Openeye Name: 3-[4-[4-(2-cyano-3-methoxy-phenyl)piperazin-1-yl]butyl]-1H-indole-5-carbonitrile hydrochloride CAS Name: 3-[4-[4-(2-cyano-3-methoxyphenyl)-1-piperazinyl]butyl]-1H-indole-5-carbonitrile hydrochloride IUPAC Name: 3-[4-[4-(2-cyano-3-methoxyphenyl)piperazin-1-yl]butyl]-1H-indole-5-carbonitrile hydrochloride Traditional Name: 3-[4-[4-(2-cyano-3-methoxy-phenyl)piperazino]butyl]-1H-indole-5-carbonitrile hydrochloride Formula: C25H28ClN5O MolecularWeight: 449.97572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1C#N)N2CCN(CC2)CCCCC3=CNC4=C3C=C(C=C4)C#N.Cl

Isomeric SMILES

COC1=CC=CC(=C1C#N)N2CCN(CC2)CCCCC3=CNC4=C3C=C(C=C4)C#N.Cl

InChI

InChI=1S/C25H27N5O.ClH/c1-31-25-7-4-6-24(22(25)17-27)30-13-11-29(12-14-30)10-3-2-5-20-18-28-23-9-8-19(16-26)15-21(20)23;/h4,6-9,15,18,28H,2-3,5,10-14H2,1H3;1H