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

Systemtic Name: ethyl 5-butan-2-yl-1-[4-(4-phenylbutan-2-ylcarbamoyl)phenyl]pyrazole-3-carboxylate Openeye Name: ethyl 1-[4-[(1-methyl-3-phenyl-propyl)carbamoyl]phenyl]-5-sec-butyl-pyrazole-3-carboxylate CAS Name: 5-butan-2-yl-1-[4-[oxo-(4-phenylbutan-2-ylamino)methyl]phenyl]-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-butan-2-yl-1-[4-(4-phenylbutan-2-ylcarbamoyl)phenyl]pyrazole-3-carboxylate Traditional Name: 1-[4-[(1-methyl-3-phenyl-propyl)carbamoyl]phenyl]-5-sec-butyl-pyrazole-3-carboxylic acid ethyl ester Formula: C27H33N3O3 MolecularWeight: 447.56922

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC(=NN1C2=CC=C(C=C2)C(=O)NC(C)CCC3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CCC(C)C1=CC(=NN1C2=CC=C(C=C2)C(=O)NC(C)CCC3=CC=CC=C3)C(=O)OCC

InChI

InChI=1S/C27H33N3O3/c1-5-19(3)25-18-24(27(32)33-6-2)29-30(25)23-16-14-22(15-17-23)26(31)28-20(4)12-13-21-10-8-7-9-11-21/h7-11,14-20H,5-6,12-13H2,1-4H3,(H,28,31)