1-[3-(4-fluorophenyl)-2-(4-methylphenyl)-4-(4-pyrrolidin-1-ylphenyl)-3H-1,2,4-triazol-5-yl]ethanone

Systemtic Name: 1-[3-(4-fluorophenyl)-2-(4-methylphenyl)-4-(4-pyrrolidin-1-ylphenyl)-3H-1,2,4-triazol-5-yl]ethanone Openeye Name: 1-[3-(4-fluorophenyl)-2-(p-tolyl)-4-(4-pyrrolidin-1-ylphenyl)-3H-1,2,4-triazol-5-yl]ethanone CAS Name: 1-[3-(4-fluorophenyl)-2-(4-methylphenyl)-4-[4-(1-pyrrolidinyl)phenyl]-3H-1,2,4-triazol-5-yl]ethanone IUPAC Name: 1-[3-(4-fluorophenyl)-2-(4-methylphenyl)-4-(4-pyrrolidin-1-ylphenyl)-3H-1,2,4-triazol-5-yl]ethanone Traditional Name: 1-[3-(4-fluorophenyl)-2-(p-tolyl)-4-(4-pyrrolidinophenyl)-3H-1,2,4-triazol-5-yl]ethanone Formula: C27H27FN4O MolecularWeight: 442.527883

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(N(C(=N2)C(=O)C)C3=CC=C(C=C3)N4CCCC4)C5=CC=C(C=C5)F

Isomeric SMILES

CC1=CC=C(C=C1)N2C(N(C(=N2)C(=O)C)C3=CC=C(C=C3)N4CCCC4)C5=CC=C(C=C5)F

InChI

InChI=1S/C27H27FN4O/c1-19-5-11-25(12-6-19)32-27(21-7-9-22(28)10-8-21)31(26(29-32)20(2)33)24-15-13-23(14-16-24)30-17-3-4-18-30/h5-16,27H,3-4,17-18H2,1-2H3