1-(1H-indol-5-yl)-3-[(4-methylcyclohexyl)carbonyl-propan-2-yl-amino]pyrazole-4-carboxylic acid

Systemtic Name: 1-(1H-indol-5-yl)-3-[(4-methylcyclohexyl)carbonyl-propan-2-yl-amino]pyrazole-4-carboxylic acid Openeye Name: 1-(1H-indol-5-yl)-3-[isopropyl-(4-methylcyclohexanecarbonyl)amino]pyrazole-4-carboxylic acid CAS Name: 1-(1H-indol-5-yl)-3-[[(4-methylcyclohexyl)-oxomethyl]-propan-2-ylamino]-4-pyrazolecarboxylic acid IUPAC Name: 1-(1H-indol-5-yl)-3-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]pyrazole-4-carboxylic acid Traditional Name: 1-(1H-indol-5-yl)-3-[isopropyl-(4-methylcyclohexanecarbonyl)amino]pyrazole-4-carboxylic acid Formula: C23H28N4O3 MolecularWeight: 408.49342

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)C(=O)N(C2=NN(C=C2C(=O)O)C3=CC4=C(C=C3)NC=C4)C(C)C

Isomeric SMILES

CC1CCC(CC1)C(=O)N(C2=NN(C=C2C(=O)O)C3=CC4=C(C=C3)NC=C4)C(C)C

InChI

InChI=1S/C23H28N4O3/c1-14(2)27(22(28)16-6-4-15(3)5-7-16)21-19(23(29)30)13-26(25-21)18-8-9-20-17(12-18)10-11-24-20/h8-16,24H,4-7H2,1-3H3,(H,29,30)