ethyl 5-methyl-1-[4-(quinolin-3-ylcarbamoyl)phenyl]pyrazole-4-carboxylate

Systemtic Name: ethyl 5-methyl-1-[4-(quinolin-3-ylcarbamoyl)phenyl]pyrazole-4-carboxylate Openeye Name: ethyl 5-methyl-1-[4-(3-quinolylcarbamoyl)phenyl]pyrazole-4-carboxylate CAS Name: 5-methyl-1-[4-[oxo-(3-quinolinylamino)methyl]phenyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-1-[4-(quinolin-3-ylcarbamoyl)phenyl]pyrazole-4-carboxylate Traditional Name: 5-methyl-1-[4-(3-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=CC4=CC=CC=C4N=C3)C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)NC3=CC4=CC=CC=C4N=C3)C

InChI

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