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

Systemtic Name: 1-[2,3-bis(4-methylphenyl)-4-(4-pyrrolidin-1-ylphenyl)-3H-1,2,4-triazol-5-yl]ethanone Openeye Name: 1-[2,3-bis(p-tolyl)-4-(4-pyrrolidin-1-ylphenyl)-3H-1,2,4-triazol-5-yl]ethanone CAS Name: 1-[2,3-bis(4-methylphenyl)-4-[4-(1-pyrrolidinyl)phenyl]-3H-1,2,4-triazol-5-yl]ethanone IUPAC Name: 1-[2,3-bis(4-methylphenyl)-4-(4-pyrrolidin-1-ylphenyl)-3H-1,2,4-triazol-5-yl]ethanone Traditional Name: 1-[2,3-bis(p-tolyl)-4-(4-pyrrolidinophenyl)-3H-1,2,4-triazol-5-yl]ethanone Formula: C28H30N4O MolecularWeight: 438.564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2N(C(=NN2C3=CC=C(C=C3)C)C(=O)C)C4=CC=C(C=C4)N5CCCC5

Isomeric SMILES

CC1=CC=C(C=C1)C2N(C(=NN2C3=CC=C(C=C3)C)C(=O)C)C4=CC=C(C=C4)N5CCCC5

InChI

InChI=1S/C28H30N4O/c1-20-6-10-23(11-7-20)28-31(25-16-14-24(15-17-25)30-18-4-5-19-30)27(22(3)33)29-32(28)26-12-8-21(2)9-13-26/h6-17,28H,4-5,18-19H2,1-3H3