N-[[6-(3,5-dimethylpyrazol-1-yl)pyridin-3-yl]methyl]-3-[(2-nitrophenyl)amino]propanamide

Systemtic Name: N-[[6-(3,5-dimethylpyrazol-1-yl)pyridin-3-yl]methyl]-3-[(2-nitrophenyl)amino]propanamide Openeye Name: N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridyl]methyl]-3-(2-nitroanilino)propanamide CAS Name: N-[[6-(3,5-dimethyl-1-pyrazolyl)-3-pyridinyl]methyl]-3-(2-nitroanilino)propanamide IUPAC Name: N-[[6-(3,5-dimethylpyrazol-1-yl)pyridin-3-yl]methyl]-3-(2-nitroanilino)propanamide Traditional Name: N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridyl]methyl]-3-(2-nitroanilino)propionamide Formula: C20H22N6O3 MolecularWeight: 394.42708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=NC=C(C=C2)CNC(=O)CCNC3=CC=CC=C3[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NN1C2=NC=C(C=C2)CNC(=O)CCNC3=CC=CC=C3[N+](=O)[O-])C

InChI

InChI=1S/C20H22N6O3/c1-14-11-15(2)25(24-14)19-8-7-16(12-22-19)13-23-20(27)9-10-21-17-5-3-4-6-18(17)26(28)29/h3-8,11-12,21H,9-10,13H2,1-2H3,(H,23,27)