2-[4-(3-methoxyphenyl)carbonylpiperazin-1-yl]pyridine-3-carbonitrile

Systemtic Name: 2-[4-(3-methoxyphenyl)carbonylpiperazin-1-yl]pyridine-3-carbonitrile Openeye Name: 2-[4-(3-methoxybenzoyl)piperazin-1-yl]pyridine-3-carbonitrile CAS Name: 2-[4-[(3-methoxyphenyl)-oxomethyl]-1-piperazinyl]-3-pyridinecarbonitrile IUPAC Name: 2-[4-(3-methoxybenzoyl)piperazin-1-yl]pyridine-3-carbonitrile Traditional Name: 2-(4-m-anisoylpiperazino)nicotinonitrile Formula: C18H18N4O2 MolecularWeight: 322.36112

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)N2CCN(CC2)C3=C(C=CC=N3)C#N

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)N2CCN(CC2)C3=C(C=CC=N3)C#N

InChI

InChI=1S/C18H18N4O2/c1-24-16-6-2-4-14(12-16)18(23)22-10-8-21(9-11-22)17-15(13-19)5-3-7-20-17/h2-7,12H,8-11H2,1H3