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

Systemtic Name: 3-[4-[4-(4-cyano-3-methoxy-phenyl)piperazin-1-yl]butyl]-1H-indole-5-carbonitrile Openeye Name: 3-[4-[4-(4-cyano-3-methoxy-phenyl)piperazin-1-yl]butyl]-1H-indole-5-carbonitrile CAS Name: 3-[4-[4-(4-cyano-3-methoxyphenyl)-1-piperazinyl]butyl]-1H-indole-5-carbonitrile IUPAC Name: 3-[4-[4-(4-cyano-3-methoxyphenyl)piperazin-1-yl]butyl]-1H-indole-5-carbonitrile Traditional Name: 3-[4-[4-(4-cyano-3-methoxy-phenyl)piperazino]butyl]-1H-indole-5-carbonitrile Formula: C25H27N5O MolecularWeight: 413.51478

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)N2CCN(CC2)CCCCC3=CNC4=C3C=C(C=C4)C#N)C#N

Isomeric SMILES

COC1=C(C=CC(=C1)N2CCN(CC2)CCCCC3=CNC4=C3C=C(C=C4)C#N)C#N

InChI

InChI=1S/C25H27N5O/c1-31-25-15-22(7-6-20(25)17-27)30-12-10-29(11-13-30)9-3-2-4-21-18-28-24-8-5-19(16-26)14-23(21)24/h5-8,14-15,18,28H,2-4,9-13H2,1H3