ethyl 3,5-dimethyl-1-[4-[[phenyl(pyridin-2-yl)methyl]carbamoyl]phenyl]pyrazole-4-carboxylate

Systemtic Name: ethyl 3,5-dimethyl-1-[4-[[phenyl(pyridin-2-yl)methyl]carbamoyl]phenyl]pyrazole-4-carboxylate Openeye Name: ethyl 3,5-dimethyl-1-[4-[[phenyl(2-pyridyl)methyl]carbamoyl]phenyl]pyrazole-4-carboxylate CAS Name: 3,5-dimethyl-1-[4-[oxo-[[phenyl(2-pyridinyl)methyl]amino]methyl]phenyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 3,5-dimethyl-1-[4-[[phenyl(pyridin-2-yl)methyl]carbamoyl]phenyl]pyrazole-4-carboxylate Traditional Name: 3,5-dimethyl-1-[4-[[phenyl(2-pyridyl)methyl]carbamoyl]phenyl]pyrazole-4-carboxylic acid ethyl ester Formula: C27H26N4O3 MolecularWeight: 454.52034

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1C)C2=CC=C(C=C2)C(=O)NC(C3=CC=CC=C3)C4=CC=CC=N4)C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1C)C2=CC=C(C=C2)C(=O)NC(C3=CC=CC=C3)C4=CC=CC=N4)C

InChI

InChI=1S/C27H26N4O3/c1-4-34-27(33)24-18(2)30-31(19(24)3)22-15-13-21(14-16-22)26(32)29-25(20-10-6-5-7-11-20)23-12-8-9-17-28-23/h5-17,25H,4H2,1-3H3,(H,29,32)