1-[3-(3-methyl-2H-indazol-5-yl)-1,2,4-triazin-5-yl]-3-(phenylmethyl)piperidine-3-carboxylic acid

Systemtic Name: 1-[3-(3-methyl-2H-indazol-5-yl)-1,2,4-triazin-5-yl]-3-(phenylmethyl)piperidine-3-carboxylic acid Openeye Name: 3-benzyl-1-[3-(3-methyl-2H-indazol-5-yl)-1,2,4-triazin-5-yl]piperidine-3-carboxylic acid CAS Name: 1-[3-(3-methyl-2H-indazol-5-yl)-1,2,4-triazin-5-yl]-3-(phenylmethyl)-3-piperidinecarboxylic acid IUPAC Name: 3-benzyl-1-[3-(3-methyl-2H-indazol-5-yl)-1,2,4-triazin-5-yl]piperidine-3-carboxylic acid Traditional Name: 3-benzyl-1-[3-(3-methyl-2H-indazol-5-yl)-1,2,4-triazin-5-yl]nipecotic acid Formula: C24H24N6O2 MolecularWeight: 428.48636

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=C(C=CC2=NN1)C3=NC(=CN=N3)N4CCCC(C4)(CC5=CC=CC=C5)C(=O)O

Isomeric SMILES

CC1=C2C=C(C=CC2=NN1)C3=NC(=CN=N3)N4CCCC(C4)(CC5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C24H24N6O2/c1-16-19-12-18(8-9-20(19)28-27-16)22-26-21(14-25-29-22)30-11-5-10-24(15-30,23(31)32)13-17-6-3-2-4-7-17/h2-4,6-9,12,14H,5,10-11,13,15H2,1H3,(H,27,28)(H,31,32)