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

Systemtic Name: 1-[2-(4-methylphenyl)-4-(4-morpholin-4-ylphenyl)-3-phenyl-3H-1,2,4-triazol-5-yl]ethanone Openeye Name: 1-[4-(4-morpholinophenyl)-3-phenyl-2-(p-tolyl)-3H-1,2,4-triazol-5-yl]ethanone CAS Name: 1-[2-(4-methylphenyl)-4-[4-(4-morpholinyl)phenyl]-3-phenyl-3H-1,2,4-triazol-5-yl]ethanone IUPAC Name: 1-[2-(4-methylphenyl)-4-(4-morpholin-4-ylphenyl)-3-phenyl-3H-1,2,4-triazol-5-yl]ethanone Traditional Name: 1-[4-(4-morpholinophenyl)-3-phenyl-2-(p-tolyl)-3H-1,2,4-triazol-5-yl]ethanone Formula: C27H28N4O2 MolecularWeight: 440.53682

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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)N4CCOCC4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)N2C(N(C(=N2)C(=O)C)C3=CC=C(C=C3)N4CCOCC4)C5=CC=CC=C5

InChI

InChI=1S/C27H28N4O2/c1-20-8-10-25(11-9-20)31-27(22-6-4-3-5-7-22)30(26(28-31)21(2)32)24-14-12-23(13-15-24)29-16-18-33-19-17-29/h3-15,27H,16-19H2,1-2H3