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

Systemtic Name: 2-[4-[4-(2,3-dimethylphenyl)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-(2,3-dimethylphenyl)piperazin-1-yl]butyl]-5-(3-pyridyl)-1,2,4-triazol-3-one CAS Name: 2-[4-[4-(2,3-dimethylphenyl)-1-piperazinyl]butyl]-4-prop-2-enyl-5-(3-pyridinyl)-1,2,4-triazol-3-one IUPAC Name: 2-[4-[4-(2,3-dimethylphenyl)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-(2,3-dimethylphenyl)piperazino]butyl]-5-(3-pyridyl)-1,2,4-triazol-3-one Formula: C26H34N6O MolecularWeight: 446.58776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)CCCCN3C(=O)N(C(=N3)C4=CN=CC=C4)CC=C)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)CCCCN3C(=O)N(C(=N3)C4=CN=CC=C4)CC=C)C

InChI

InChI=1S/C26H34N6O/c1-4-13-31-25(23-10-8-12-27-20-23)28-32(26(31)33)15-6-5-14-29-16-18-30(19-17-29)24-11-7-9-21(2)22(24)3/h4,7-12,20H,1,5-6,13-19H2,2-3H3