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

Systemtic Name: 1-[3-(4-ethylphenyl)-2-phenyl-4-(4-piperidin-1-ylphenyl)-3H-1,2,4-triazol-5-yl]ethanone Openeye Name: 1-[3-(4-ethylphenyl)-2-phenyl-4-[4-(1-piperidyl)phenyl]-3H-1,2,4-triazol-5-yl]ethanone CAS Name: 1-[3-(4-ethylphenyl)-2-phenyl-4-[4-(1-piperidinyl)phenyl]-3H-1,2,4-triazol-5-yl]ethanone IUPAC Name: 1-[3-(4-ethylphenyl)-2-phenyl-4-(4-piperidin-1-ylphenyl)-3H-1,2,4-triazol-5-yl]ethanone Traditional Name: 1-[3-(4-ethylphenyl)-2-phenyl-4-(4-piperidinophenyl)-3H-1,2,4-triazol-5-yl]ethanone Formula: C29H32N4O MolecularWeight: 452.59058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2N(C(=NN2C3=CC=CC=C3)C(=O)C)C4=CC=C(C=C4)N5CCCCC5

Isomeric SMILES

CCC1=CC=C(C=C1)C2N(C(=NN2C3=CC=CC=C3)C(=O)C)C4=CC=C(C=C4)N5CCCCC5

InChI

InChI=1S/C29H32N4O/c1-3-23-12-14-24(15-13-23)29-32(26-18-16-25(17-19-26)31-20-8-5-9-21-31)28(22(2)34)30-33(29)27-10-6-4-7-11-27/h4,6-7,10-19,29H,3,5,8-9,20-21H2,1-2H3