4-(3-methoxyphenyl)-1-[2-(4-pyrazin-2-ylpiperazin-1-yl)ethanoyl]piperidine-4-carbonitrile

Systemtic Name: 4-(3-methoxyphenyl)-1-[2-(4-pyrazin-2-ylpiperazin-1-yl)ethanoyl]piperidine-4-carbonitrile Openeye Name: 4-(3-methoxyphenyl)-1-[2-(4-pyrazin-2-ylpiperazin-1-yl)acetyl]piperidine-4-carbonitrile CAS Name: 4-(3-methoxyphenyl)-1-[1-oxo-2-[4-(2-pyrazinyl)-1-piperazinyl]ethyl]-4-piperidinecarbonitrile IUPAC Name: 4-(3-methoxyphenyl)-1-[2-(4-pyrazin-2-ylpiperazin-1-yl)acetyl]piperidine-4-carbonitrile Traditional Name: 4-(3-methoxyphenyl)-1-[2-(4-pyrazin-2-ylpiperazino)acetyl]isonipecotonitrile Formula: C23H28N6O2 MolecularWeight: 420.50742

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2(CCN(CC2)C(=O)CN3CCN(CC3)C4=NC=CN=C4)C#N

Isomeric SMILES

COC1=CC=CC(=C1)C2(CCN(CC2)C(=O)CN3CCN(CC3)C4=NC=CN=C4)C#N

InChI

InChI=1S/C23H28N6O2/c1-31-20-4-2-3-19(15-20)23(18-24)5-9-29(10-6-23)22(30)17-27-11-13-28(14-12-27)21-16-25-7-8-26-21/h2-4,7-8,15-16H,5-6,9-14,17H2,1H3