3-[4-[4-(3,4-dimethoxyphenyl)piperazin-1-yl]butyl]-1H-indole-5-carbonitrile

Systemtic Name: 3-[4-[4-(3,4-dimethoxyphenyl)piperazin-1-yl]butyl]-1H-indole-5-carbonitrile Openeye Name: 3-[4-[4-(3,4-dimethoxyphenyl)piperazin-1-yl]butyl]-1H-indole-5-carbonitrile CAS Name: 3-[4-[4-(3,4-dimethoxyphenyl)-1-piperazinyl]butyl]-1H-indole-5-carbonitrile IUPAC Name: 3-[4-[4-(3,4-dimethoxyphenyl)piperazin-1-yl]butyl]-1H-indole-5-carbonitrile Traditional Name: 3-[4-[4-(3,4-dimethoxyphenyl)piperazino]butyl]-1H-indole-5-carbonitrile Formula: C25H30N4O2 MolecularWeight: 418.5313

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30N4O2/c1-30-24-9-7-21(16-25(24)31-2)29-13-11-28(12-14-29)10-4-3-5-20-18-27-23-8-6-19(17-26)15-22(20)23/h6-9,15-16,18,27H,3-5,10-14H2,1-2H3