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

Systemtic Name: 3-[4-[4-(3-cyano-4-oxidanyl-phenyl)piperazin-1-yl]butyl]-1H-indole-5-carbonitrile Openeye Name: 3-[4-[4-(3-cyano-4-hydroxy-phenyl)piperazin-1-yl]butyl]-1H-indole-5-carbonitrile CAS Name: 3-[4-[4-(3-cyano-4-hydroxyphenyl)-1-piperazinyl]butyl]-1H-indole-5-carbonitrile IUPAC Name: 3-[4-[4-(3-cyano-4-hydroxyphenyl)piperazin-1-yl]butyl]-1H-indole-5-carbonitrile Traditional Name: 3-[4-[4-(3-cyano-4-hydroxy-phenyl)piperazino]butyl]-1H-indole-5-carbonitrile Formula: C24H25N5O MolecularWeight: 399.4882

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCC2=CNC3=C2C=C(C=C3)C#N)C4=CC(=C(C=C4)O)C#N

Isomeric SMILES

C1CN(CCN1CCCCC2=CNC3=C2C=C(C=C3)C#N)C4=CC(=C(C=C4)O)C#N

InChI

InChI=1S/C24H25N5O/c25-15-18-4-6-23-22(13-18)19(17-27-23)3-1-2-8-28-9-11-29(12-10-28)21-5-7-24(30)20(14-21)16-26/h4-7,13-14,17,27,30H,1-3,8-12H2