1-[5,6-bis(4-methylphenyl)-1,2,4-triazin-3-yl]piperidine-4-carboxylic acid

Systemtic Name: 1-[5,6-bis(4-methylphenyl)-1,2,4-triazin-3-yl]piperidine-4-carboxylic acid Openeye Name: 1-[5,6-bis(p-tolyl)-1,2,4-triazin-3-yl]piperidine-4-carboxylic acid CAS Name: 1-[5,6-bis(4-methylphenyl)-1,2,4-triazin-3-yl]-4-piperidinecarboxylic acid IUPAC Name: 1-[5,6-bis(4-methylphenyl)-1,2,4-triazin-3-yl]piperidine-4-carboxylic acid Traditional Name: 1-[5,6-bis(p-tolyl)-1,2,4-triazin-3-yl]isonipecotic acid Formula: C23H24N4O2 MolecularWeight: 388.46226

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(N=NC(=N2)N3CCC(CC3)C(=O)O)C4=CC=C(C=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(N=NC(=N2)N3CCC(CC3)C(=O)O)C4=CC=C(C=C4)C

InChI

InChI=1S/C23H24N4O2/c1-15-3-7-17(8-4-15)20-21(18-9-5-16(2)6-10-18)25-26-23(24-20)27-13-11-19(12-14-27)22(28)29/h3-10,19H,11-14H2,1-2H3,(H,28,29)