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

Systemtic Name: 1-[3-(3,4-dimethoxyphenyl)-2-(4-methylphenyl)-4-(4-pyrrolidin-1-ylphenyl)-3H-1,2,4-triazol-5-yl]ethanone Openeye Name: 1-[3-(3,4-dimethoxyphenyl)-2-(p-tolyl)-4-(4-pyrrolidin-1-ylphenyl)-3H-1,2,4-triazol-5-yl]ethanone CAS Name: 1-[3-(3,4-dimethoxyphenyl)-2-(4-methylphenyl)-4-[4-(1-pyrrolidinyl)phenyl]-3H-1,2,4-triazol-5-yl]ethanone IUPAC Name: 1-[3-(3,4-dimethoxyphenyl)-2-(4-methylphenyl)-4-(4-pyrrolidin-1-ylphenyl)-3H-1,2,4-triazol-5-yl]ethanone Traditional Name: 1-[3-(3,4-dimethoxyphenyl)-2-(p-tolyl)-4-(4-pyrrolidinophenyl)-3H-1,2,4-triazol-5-yl]ethanone Formula: C29H32N4O3 MolecularWeight: 484.58938

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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)OC)OC

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)OC)OC

InChI

InChI=1S/C29H32N4O3/c1-20-7-10-25(11-8-20)33-29(22-9-16-26(35-3)27(19-22)36-4)32(28(30-33)21(2)34)24-14-12-23(13-15-24)31-17-5-6-18-31/h7-16,19,29H,5-6,17-18H2,1-4H3