methyl 4-[4-phenyl-5-(4-piperidin-4-ylphenyl)-1,2,4-triazol-3-yl]cyclohexane-1-carboxylate

Systemtic Name: methyl 4-[4-phenyl-5-(4-piperidin-4-ylphenyl)-1,2,4-triazol-3-yl]cyclohexane-1-carboxylate Openeye Name: methyl 4-[4-phenyl-5-[4-(4-piperidyl)phenyl]-1,2,4-triazol-3-yl]cyclohexanecarboxylate CAS Name: 4-[4-phenyl-5-[4-(4-piperidinyl)phenyl]-1,2,4-triazol-3-yl]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 4-[4-phenyl-5-(4-piperidin-4-ylphenyl)-1,2,4-triazol-3-yl]cyclohexane-1-carboxylate Traditional Name: 4-[4-phenyl-5-[4-(4-piperidyl)phenyl]-1,2,4-triazol-3-yl]cyclohexanecarboxylic acid methyl ester Formula: C27H32N4O2 MolecularWeight: 444.56858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCC(CC1)C2=NN=C(N2C3=CC=CC=C3)C4=CC=C(C=C4)C5CCNCC5

Isomeric SMILES

COC(=O)C1CCC(CC1)C2=NN=C(N2C3=CC=CC=C3)C4=CC=C(C=C4)C5CCNCC5

InChI

InChI=1S/C27H32N4O2/c1-33-27(32)23-13-11-22(12-14-23)26-30-29-25(31(26)24-5-3-2-4-6-24)21-9-7-19(8-10-21)20-15-17-28-18-16-20/h2-10,20,22-23,28H,11-18H2,1H3