2-[4-(4-methyl-2-oxidanyl-phenyl)carbonylpiperazin-1-yl]pyridine-3-carbonitrile

Systemtic Name: 2-[4-(4-methyl-2-oxidanyl-phenyl)carbonylpiperazin-1-yl]pyridine-3-carbonitrile Openeye Name: 2-[4-(2-hydroxy-4-methyl-benzoyl)piperazin-1-yl]pyridine-3-carbonitrile CAS Name: 2-[4-[(2-hydroxy-4-methylphenyl)-oxomethyl]-1-piperazinyl]-3-pyridinecarbonitrile IUPAC Name: 2-[4-(2-hydroxy-4-methylbenzoyl)piperazin-1-yl]pyridine-3-carbonitrile Traditional Name: 2-[4-(2-hydroxy-4-methyl-benzoyl)piperazino]nicotinonitrile Formula: C18H18N4O2 MolecularWeight: 322.36112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)N2CCN(CC2)C3=C(C=CC=N3)C#N)O

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)N2CCN(CC2)C3=C(C=CC=N3)C#N)O

InChI

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