2-[1-[4-(2-methylphenyl)piperazin-1-yl]ethyl]-4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-one

Systemtic Name: 2-[1-[4-(2-methylphenyl)piperazin-1-yl]ethyl]-4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-one Openeye Name: 4-allyl-2-[1-[4-(o-tolyl)piperazin-1-yl]ethyl]-5-(3-pyridyl)-1,2,4-triazol-3-one CAS Name: 2-[1-[4-(2-methylphenyl)-1-piperazinyl]ethyl]-4-prop-2-enyl-5-(3-pyridinyl)-1,2,4-triazol-3-one IUPAC Name: 2-[1-[4-(2-methylphenyl)piperazin-1-yl]ethyl]-4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-one Traditional Name: 4-allyl-2-[1-[4-(o-tolyl)piperazino]ethyl]-5-(3-pyridyl)-1,2,4-triazol-3-one Formula: C23H28N6O MolecularWeight: 404.50802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(CC2)C(C)N3C(=O)N(C(=N3)C4=CN=CC=C4)CC=C

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)C(C)N3C(=O)N(C(=N3)C4=CN=CC=C4)CC=C

InChI

InChI=1S/C23H28N6O/c1-4-12-28-22(20-9-7-11-24-17-20)25-29(23(28)30)19(3)26-13-15-27(16-14-26)21-10-6-5-8-18(21)2/h4-11,17,19H,1,12-16H2,2-3H3