4-(4-chlorophenyl)-1-[2-(4-pyrazin-2-ylpiperazin-1-yl)ethanoyl]piperidine-4-carbonitrile

Systemtic Name: 4-(4-chlorophenyl)-1-[2-(4-pyrazin-2-ylpiperazin-1-yl)ethanoyl]piperidine-4-carbonitrile Openeye Name: 4-(4-chlorophenyl)-1-[2-(4-pyrazin-2-ylpiperazin-1-yl)acetyl]piperidine-4-carbonitrile CAS Name: 4-(4-chlorophenyl)-1-[1-oxo-2-[4-(2-pyrazinyl)-1-piperazinyl]ethyl]-4-piperidinecarbonitrile IUPAC Name: 4-(4-chlorophenyl)-1-[2-(4-pyrazin-2-ylpiperazin-1-yl)acetyl]piperidine-4-carbonitrile Traditional Name: 4-(4-chlorophenyl)-1-[2-(4-pyrazin-2-ylpiperazino)acetyl]isonipecotonitrile Formula: C22H25ClN6O MolecularWeight: 424.9265

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C#N)C2=CC=C(C=C2)Cl)C(=O)CN3CCN(CC3)C4=NC=CN=C4

Isomeric SMILES

C1CN(CCC1(C#N)C2=CC=C(C=C2)Cl)C(=O)CN3CCN(CC3)C4=NC=CN=C4

InChI

InChI=1S/C22H25ClN6O/c23-19-3-1-18(2-4-19)22(17-24)5-9-29(10-6-22)21(30)16-27-11-13-28(14-12-27)20-15-25-7-8-26-20/h1-4,7-8,15H,5-6,9-14,16H2