ethyl 5-butan-2-yl-1-[4-[(3-methylphenyl)methylcarbamoyl]phenyl]pyrazole-3-carboxylate

Systemtic Name: ethyl 5-butan-2-yl-1-[4-[(3-methylphenyl)methylcarbamoyl]phenyl]pyrazole-3-carboxylate Openeye Name: ethyl 1-[4-(m-tolylmethylcarbamoyl)phenyl]-5-sec-butyl-pyrazole-3-carboxylate CAS Name: 5-butan-2-yl-1-[4-[[(3-methylphenyl)methylamino]-oxomethyl]phenyl]-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-butan-2-yl-1-[4-[(3-methylphenyl)methylcarbamoyl]phenyl]pyrazole-3-carboxylate Traditional Name: 1-[4-[(3-methylbenzyl)carbamoyl]phenyl]-5-sec-butyl-pyrazole-3-carboxylic acid ethyl ester Formula: C25H29N3O3 MolecularWeight: 419.51606

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC(=NN1C2=CC=C(C=C2)C(=O)NCC3=CC=CC(=C3)C)C(=O)OCC

Isomeric SMILES

CCC(C)C1=CC(=NN1C2=CC=C(C=C2)C(=O)NCC3=CC=CC(=C3)C)C(=O)OCC

InChI

InChI=1S/C25H29N3O3/c1-5-18(4)23-15-22(25(30)31-6-2)27-28(23)21-12-10-20(11-13-21)24(29)26-16-19-9-7-8-17(3)14-19/h7-15,18H,5-6,16H2,1-4H3,(H,26,29)