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

Systemtic Name: 2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-one Openeye Name: 4-allyl-2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-5-phenyl-1,2,4-triazol-3-one CAS Name: 2-[4-[4-(2-methoxyphenyl)-1-piperazinyl]butyl]-5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-one IUPAC Name: 2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-one Traditional Name: 4-allyl-2-[4-[4-(2-methoxyphenyl)piperazino]butyl]-5-phenyl-1,2,4-triazol-3-one Formula: C26H33N5O2 MolecularWeight: 447.57252

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H33N5O2/c1-3-15-30-25(22-11-5-4-6-12-22)27-31(26(30)32)17-10-9-16-28-18-20-29(21-19-28)23-13-7-8-14-24(23)33-2/h3-8,11-14H,1,9-10,15-21H2,2H3