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

Systemtic Name: 2-[2-[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-[2-[4-(o-tolyl)piperazin-1-yl]ethyl]-5-(3-pyridyl)-1,2,4-triazol-3-one CAS Name: 2-[2-[4-(2-methylphenyl)-1-piperazinyl]ethyl]-4-prop-2-enyl-5-(3-pyridinyl)-1,2,4-triazol-3-one IUPAC Name: 2-[2-[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-[2-[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)CCN3C(=O)N(C(=N3)C4=CN=CC=C4)CC=C

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)CCN3C(=O)N(C(=N3)C4=CN=CC=C4)CC=C

InChI

InChI=1S/C23H28N6O/c1-3-11-28-22(20-8-6-10-24-18-20)25-29(23(28)30)17-14-26-12-15-27(16-13-26)21-9-5-4-7-19(21)2/h3-10,18H,1,11-17H2,2H3