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

Systemtic Name: methyl 5-azanyl-1-[4-(pyridin-3-ylmethylcarbamoyl)phenyl]pyrazole-4-carboxylate Openeye Name: methyl 5-amino-1-[4-(3-pyridylmethylcarbamoyl)phenyl]pyrazole-4-carboxylate CAS Name: 5-amino-1-[4-[oxo-(3-pyridinylmethylamino)methyl]phenyl]-4-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 5-amino-1-[4-(pyridin-3-ylmethylcarbamoyl)phenyl]pyrazole-4-carboxylate Traditional Name: 5-amino-1-[4-(3-pyridylmethylcarbamoyl)phenyl]pyrazole-4-carboxylic acid methyl ester Formula: C18H17N5O3 MolecularWeight: 351.35928

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N5O3/c1-26-18(25)15-11-22-23(16(15)19)14-6-4-13(5-7-14)17(24)21-10-12-3-2-8-20-9-12/h2-9,11H,10,19H2,1H3,(H,21,24)