[1-[4-(pyridin-3-ylmethoxy)phenyl]ethylamino] 4-(5-azanyl-4-cyano-pyrazol-1-yl)benzoate

Systemtic Name: [1-[4-(pyridin-3-ylmethoxy)phenyl]ethylamino] 4-(5-azanyl-4-cyano-pyrazol-1-yl)benzoate Openeye Name: [1-[4-(3-pyridylmethoxy)phenyl]ethylamino] 4-(5-amino-4-cyano-pyrazol-1-yl)benzoate CAS Name: 4-(5-amino-4-cyano-1-pyrazolyl)benzoic acid [1-[4-(3-pyridinylmethoxy)phenyl]ethylamino] ester IUPAC Name: [1-[4-(pyridin-3-ylmethoxy)phenyl]ethylamino] 4-(5-amino-4-cyanopyrazol-1-yl)benzoate Traditional Name: 4-(5-amino-4-cyano-pyrazol-1-yl)benzoic acid [1-[4-(3-pyridylmethoxy)phenyl]ethylamino] ester Formula: C25H22N6O3 MolecularWeight: 454.48058

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)OCC2=CN=CC=C2)NOC(=O)C3=CC=C(C=C3)N4C(=C(C=N4)C#N)N

Isomeric SMILES

CC(C1=CC=C(C=C1)OCC2=CN=CC=C2)NOC(=O)C3=CC=C(C=C3)N4C(=C(C=N4)C#N)N

InChI

InChI=1S/C25H22N6O3/c1-17(19-6-10-23(11-7-19)33-16-18-3-2-12-28-14-18)30-34-25(32)20-4-8-22(9-5-20)31-24(27)21(13-26)15-29-31/h2-12,14-15,17,30H,16,27H2,1H3