ethyl 5-azanyl-1-[5-[(2,3-dimethylphenyl)carbamoyl]pyridin-2-yl]pyrazole-4-carboxylate

Systemtic Name: ethyl 5-azanyl-1-[5-[(2,3-dimethylphenyl)carbamoyl]pyridin-2-yl]pyrazole-4-carboxylate Openeye Name: ethyl 5-amino-1-[5-[(2,3-dimethylphenyl)carbamoyl]-2-pyridyl]pyrazole-4-carboxylate CAS Name: 5-amino-1-[5-[(2,3-dimethylanilino)-oxomethyl]-2-pyridinyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-1-[5-[(2,3-dimethylphenyl)carbamoyl]pyridin-2-yl]pyrazole-4-carboxylate Traditional Name: 5-amino-1-[5-[(2,3-dimethylphenyl)carbamoyl]-2-pyridyl]pyrazole-4-carboxylic acid ethyl ester Formula: C20H21N5O3 MolecularWeight: 379.41244

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=NC=C(C=C2)C(=O)NC3=CC=CC(=C3C)C)N

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=NC=C(C=C2)C(=O)NC3=CC=CC(=C3C)C)N

InChI

InChI=1S/C20H21N5O3/c1-4-28-20(27)15-11-23-25(18(15)21)17-9-8-14(10-22-17)19(26)24-16-7-5-6-12(2)13(16)3/h5-11H,4,21H2,1-3H3,(H,24,26)