ethyl 3,5-dimethyl-1-[5-(phenylcarbamoylamino)pyridin-2-yl]pyrazole-4-carboxylate

Systemtic Name: ethyl 3,5-dimethyl-1-[5-(phenylcarbamoylamino)pyridin-2-yl]pyrazole-4-carboxylate Openeye Name: ethyl 3,5-dimethyl-1-[5-(phenylcarbamoylamino)-2-pyridyl]pyrazole-4-carboxylate CAS Name: 1-[5-[[anilino(oxo)methyl]amino]-2-pyridinyl]-3,5-dimethyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 3,5-dimethyl-1-[5-(phenylcarbamoylamino)pyridin-2-yl]pyrazole-4-carboxylate Traditional Name: 3,5-dimethyl-1-[5-(phenylcarbamoylamino)-2-pyridyl]pyrazole-4-carboxylic acid ethyl ester Formula: C20H21N5O3 MolecularWeight: 379.41244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1C)C2=NC=C(C=C2)NC(=O)NC3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1C)C2=NC=C(C=C2)NC(=O)NC3=CC=CC=C3)C

InChI

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