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

Systemtic Name: 2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-one Openeye Name: 4-allyl-2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-5-(3-pyridyl)-1,2,4-triazol-3-one CAS Name: 2-[4-[4-(2-methoxyphenyl)-1-piperazinyl]butyl]-4-prop-2-enyl-5-(3-pyridinyl)-1,2,4-triazol-3-one IUPAC Name: 2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-one Traditional Name: 4-allyl-2-[4-[4-(2-methoxyphenyl)piperazino]butyl]-5-(3-pyridyl)-1,2,4-triazol-3-one Formula: C25H32N6O2 MolecularWeight: 448.56058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)CCCCN3C(=O)N(C(=N3)C4=CN=CC=C4)CC=C

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)CCCCN3C(=O)N(C(=N3)C4=CN=CC=C4)CC=C

InChI

InChI=1S/C25H32N6O2/c1-3-13-30-24(21-9-8-12-26-20-21)27-31(25(30)32)15-7-6-14-28-16-18-29(19-17-28)22-10-4-5-11-23(22)33-2/h3-5,8-12,20H,1,6-7,13-19H2,2H3