ethyl 5-methyl-1-[4-(quinolin-2-ylcarbamoyl)phenyl]pyrazole-4-carboxylate

Systemtic Name: ethyl 5-methyl-1-[4-(quinolin-2-ylcarbamoyl)phenyl]pyrazole-4-carboxylate Openeye Name: ethyl 5-methyl-1-[4-(2-quinolylcarbamoyl)phenyl]pyrazole-4-carboxylate CAS Name: 5-methyl-1-[4-[oxo-(2-quinolinylamino)methyl]phenyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-1-[4-(quinolin-2-ylcarbamoyl)phenyl]pyrazole-4-carboxylate Traditional Name: 5-methyl-1-[4-(2-quinolylcarbamoyl)phenyl]pyrazole-4-carboxylic acid ethyl ester Formula: C23H20N4O3 MolecularWeight: 400.4299

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)NC3=NC4=CC=CC=C4C=C3)C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)NC3=NC4=CC=CC=C4C=C3)C

InChI

InChI=1S/C23H20N4O3/c1-3-30-23(29)19-14-24-27(15(19)2)18-11-8-17(9-12-18)22(28)26-21-13-10-16-6-4-5-7-20(16)25-21/h4-14H,3H2,1-2H3,(H,25,26,28)