ethyl 3,5-dimethyl-1-[4-[(3-methylcyclohexyl)carbamoyl]phenyl]pyrazole-4-carboxylate

Systemtic Name: ethyl 3,5-dimethyl-1-[4-[(3-methylcyclohexyl)carbamoyl]phenyl]pyrazole-4-carboxylate Openeye Name: ethyl 3,5-dimethyl-1-[4-[(3-methylcyclohexyl)carbamoyl]phenyl]pyrazole-4-carboxylate CAS Name: 3,5-dimethyl-1-[4-[[(3-methylcyclohexyl)amino]-oxomethyl]phenyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 3,5-dimethyl-1-[4-[(3-methylcyclohexyl)carbamoyl]phenyl]pyrazole-4-carboxylate Traditional Name: 3,5-dimethyl-1-[4-[(3-methylcyclohexyl)carbamoyl]phenyl]pyrazole-4-carboxylic acid ethyl ester Formula: C22H29N3O3 MolecularWeight: 383.48396

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1C)C2=CC=C(C=C2)C(=O)NC3CCCC(C3)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1C)C2=CC=C(C=C2)C(=O)NC3CCCC(C3)C)C

InChI

InChI=1S/C22H29N3O3/c1-5-28-22(27)20-15(3)24-25(16(20)4)19-11-9-17(10-12-19)21(26)23-18-8-6-7-14(2)13-18/h9-12,14,18H,5-8,13H2,1-4H3,(H,23,26)