ethyl 5-azanyl-1-[4-(pyridin-3-ylmethylcarbamoyl)phenyl]pyrazole-4-carboxylate

Systemtic Name: ethyl 5-azanyl-1-[4-(pyridin-3-ylmethylcarbamoyl)phenyl]pyrazole-4-carboxylate Openeye Name: ethyl 5-amino-1-[4-(3-pyridylmethylcarbamoyl)phenyl]pyrazole-4-carboxylate CAS Name: 5-amino-1-[4-[oxo-(3-pyridinylmethylamino)methyl]phenyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-1-[4-(pyridin-3-ylmethylcarbamoyl)phenyl]pyrazole-4-carboxylate Traditional Name: 5-amino-1-[4-(3-pyridylmethylcarbamoyl)phenyl]pyrazole-4-carboxylic acid ethyl ester Formula: C19H19N5O3 MolecularWeight: 365.38586

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)NCC3=CN=CC=C3)N

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)NCC3=CN=CC=C3)N

InChI

InChI=1S/C19H19N5O3/c1-2-27-19(26)16-12-23-24(17(16)20)15-7-5-14(6-8-15)18(25)22-11-13-4-3-9-21-10-13/h3-10,12H,2,11,20H2,1H3,(H,22,25)