4-[2-[(4-phenylpiperazin-1-yl)methyl]pyrrol-1-yl]benzenecarbonitrile

Systemtic Name: 4-[2-[(4-phenylpiperazin-1-yl)methyl]pyrrol-1-yl]benzenecarbonitrile Openeye Name: 4-[2-[(4-phenylpiperazin-1-yl)methyl]pyrrol-1-yl]benzonitrile CAS Name: 4-[2-[(4-phenyl-1-piperazinyl)methyl]-1-pyrrolyl]benzonitrile IUPAC Name: 4-[2-[(4-phenylpiperazin-1-yl)methyl]pyrrol-1-yl]benzonitrile Traditional Name: 4-[2-[(4-phenylpiperazino)methyl]pyrrol-1-yl]benzonitrile Formula: C22H22N4 MolecularWeight: 342.43688

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CN2C3=CC=C(C=C3)C#N)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1CC2=CC=CN2C3=CC=C(C=C3)C#N)C4=CC=CC=C4

InChI

InChI=1S/C22H22N4/c23-17-19-8-10-21(11-9-19)26-12-4-7-22(26)18-24-13-15-25(16-14-24)20-5-2-1-3-6-20/h1-12H,13-16,18H2