ethyl 6-[3-(5-azanyl-4-cyano-1-phenyl-pyrazol-3-yl)propylamino]pyridine-3-carboxylate

Systemtic Name: ethyl 6-[3-(5-azanyl-4-cyano-1-phenyl-pyrazol-3-yl)propylamino]pyridine-3-carboxylate Openeye Name: ethyl 6-[3-(5-amino-4-cyano-1-phenyl-pyrazol-3-yl)propylamino]pyridine-3-carboxylate CAS Name: 6-[3-(5-amino-4-cyano-1-phenyl-3-pyrazolyl)propylamino]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propylamino]pyridine-3-carboxylate Traditional Name: 6-[3-(5-amino-4-cyano-1-phenyl-pyrazol-3-yl)propylamino]nicotinic acid ethyl ester Formula: C21H22N6O2 MolecularWeight: 390.43838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(C=C1)NCCCC2=NN(C(=C2C#N)N)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CN=C(C=C1)NCCCC2=NN(C(=C2C#N)N)C3=CC=CC=C3

InChI

InChI=1S/C21H22N6O2/c1-2-29-21(28)15-10-11-19(25-14-15)24-12-6-9-18-17(13-22)20(23)27(26-18)16-7-4-3-5-8-16/h3-5,7-8,10-11,14H,2,6,9,12,23H2,1H3,(H,24,25)