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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=C1)C(C)(C)C)C2=CC=C(C=C2)C(=O)NC(C)CCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=NN(C(=C1)C(C)(C)C)C2=CC=C(C=C2)C(=O)NC(C)CCC3=CC=CC=C3

InChI

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