3-[(2-methylphenyl)methylideneamino]-5-(2-pyridin-3-ylpiperidin-1-yl)carbonyl-2H-1,2,3-triazol-4-one

Systemtic Name: 3-[(2-methylphenyl)methylideneamino]-5-(2-pyridin-3-ylpiperidin-1-yl)carbonyl-2H-1,2,3-triazol-4-one Openeye Name: 3-(o-tolylmethyleneamino)-5-[2-(3-pyridyl)piperidine-1-carbonyl]-2H-triazol-4-one CAS Name: 3-[(2-methylphenyl)methylideneamino]-5-[oxo-[2-(3-pyridinyl)-1-piperidinyl]methyl]-2H-triazol-4-one IUPAC Name: 3-[(2-methylphenyl)methylideneamino]-5-(2-pyridin-3-ylpiperidine-1-carbonyl)-2H-triazol-4-one Traditional Name: 3-[(2-methylbenzylidene)amino]-5-[2-(3-pyridyl)piperidine-1-carbonyl]-2H-triazol-4-one Formula: C21H22N6O2 MolecularWeight: 390.43838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C=NN2C(=O)C(=NN2)C(=O)N3CCCCC3C4=CN=CC=C4

Isomeric SMILES

CC1=CC=CC=C1C=NN2C(=O)C(=NN2)C(=O)N3CCCCC3C4=CN=CC=C4

InChI

InChI=1S/C21H22N6O2/c1-15-7-2-3-8-16(15)14-23-27-21(29)19(24-25-27)20(28)26-12-5-4-10-18(26)17-9-6-11-22-13-17/h2-3,6-9,11,13-14,18,25H,4-5,10,12H2,1H3