3-[(4-methylcyclohexyl)carbonyl-(pyrazin-2-ylmethyl)amino]-1-phenyl-pyrazole-4-carboxylic acid

Systemtic Name: 3-[(4-methylcyclohexyl)carbonyl-(pyrazin-2-ylmethyl)amino]-1-phenyl-pyrazole-4-carboxylic acid Openeye Name: 3-[(4-methylcyclohexanecarbonyl)-(pyrazin-2-ylmethyl)amino]-1-phenyl-pyrazole-4-carboxylic acid CAS Name: 3-[[(4-methylcyclohexyl)-oxomethyl]-(2-pyrazinylmethyl)amino]-1-phenyl-4-pyrazolecarboxylic acid IUPAC Name: 3-[(4-methylcyclohexanecarbonyl)-(pyrazin-2-ylmethyl)amino]-1-phenylpyrazole-4-carboxylic acid Traditional Name: 3-[(4-methylcyclohexanecarbonyl)-(pyrazin-2-ylmethyl)amino]-1-phenyl-pyrazole-4-carboxylic acid Formula: C23H25N5O3 MolecularWeight: 419.4763

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)C(=O)N(CC2=NC=CN=C2)C3=NN(C=C3C(=O)O)C4=CC=CC=C4

Isomeric SMILES

CC1CCC(CC1)C(=O)N(CC2=NC=CN=C2)C3=NN(C=C3C(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C23H25N5O3/c1-16-7-9-17(10-8-16)22(29)27(14-18-13-24-11-12-25-18)21-20(23(30)31)15-28(26-21)19-5-3-2-4-6-19/h2-6,11-13,15-17H,7-10,14H2,1H3,(H,30,31)