2-[3-(2,6-dimethylpiperidin-1-yl)prop-1-ynyl]-4,5-diphenyl-1,2,4-triazol-3-one

Systemtic Name: 2-[3-(2,6-dimethylpiperidin-1-yl)prop-1-ynyl]-4,5-diphenyl-1,2,4-triazol-3-one Openeye Name: 2-[3-(2,6-dimethyl-1-piperidyl)prop-1-ynyl]-4,5-diphenyl-1,2,4-triazol-3-one CAS Name: 2-[3-(2,6-dimethyl-1-piperidinyl)prop-1-ynyl]-4,5-diphenyl-1,2,4-triazol-3-one IUPAC Name: 2-[3-(2,6-dimethylpiperidin-1-yl)prop-1-ynyl]-4,5-diphenyl-1,2,4-triazol-3-one Traditional Name: 2-[3-(2,6-dimethylpiperidino)prop-1-ynyl]-4,5-diphenyl-1,2,4-triazol-3-one Formula: C24H26N4O MolecularWeight: 386.48944

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1CC#CN2C(=O)N(C(=N2)C3=CC=CC=C3)C4=CC=CC=C4)C

Isomeric SMILES

CC1CCCC(N1CC#CN2C(=O)N(C(=N2)C3=CC=CC=C3)C4=CC=CC=C4)C

InChI

InChI=1S/C24H26N4O/c1-19-11-9-12-20(2)26(19)17-10-18-27-24(29)28(22-15-7-4-8-16-22)23(25-27)21-13-5-3-6-14-21/h3-8,13-16,19-20H,9,11-12,17H2,1-2H3