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

Systemtic Name: ethyl 1-[4-(isoquinolin-5-ylcarbamoyl)phenyl]-5-methyl-pyrazole-4-carboxylate Openeye Name: ethyl 1-[4-(5-isoquinolylcarbamoyl)phenyl]-5-methyl-pyrazole-4-carboxylate CAS Name: 1-[4-[(5-isoquinolinylamino)-oxomethyl]phenyl]-5-methyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-(isoquinolin-5-ylcarbamoyl)phenyl]-5-methylpyrazole-4-carboxylate Traditional Name: 1-[4-(5-isoquinolylcarbamoyl)phenyl]-5-methyl-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=CC=CC4=C3C=CN=C4)C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)NC3=CC=CC4=C3C=CN=C4)C

InChI

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