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

Systemtic Name: 2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-one Openeye Name: 4-allyl-2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-5-(3-pyridyl)-1,2,4-triazol-3-one CAS Name: 2-[[4-(2-methoxyphenyl)-1-piperazinyl]methyl]-4-prop-2-enyl-5-(3-pyridinyl)-1,2,4-triazol-3-one IUPAC Name: 2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-one Traditional Name: 4-allyl-2-[[4-(2-methoxyphenyl)piperazino]methyl]-5-(3-pyridyl)-1,2,4-triazol-3-one Formula: C22H26N6O2 MolecularWeight: 406.48084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)CN3C(=O)N(C(=N3)C4=CN=CC=C4)CC=C

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)CN3C(=O)N(C(=N3)C4=CN=CC=C4)CC=C

InChI

InChI=1S/C22H26N6O2/c1-3-11-27-21(18-7-6-10-23-16-18)24-28(22(27)29)17-25-12-14-26(15-13-25)19-8-4-5-9-20(19)30-2/h3-10,16H,1,11-15,17H2,2H3