3-methylbutyl 4-(6-azanyl-5-cyano-3-methyl-4-pyridin-4-yl-4H-pyrano[2,3-c]pyrazol-1-yl)benzoate

Systemtic Name: 3-methylbutyl 4-(6-azanyl-5-cyano-3-methyl-4-pyridin-4-yl-4H-pyrano[2,3-c]pyrazol-1-yl)benzoate Openeye Name: isopentyl 4-[6-amino-5-cyano-3-methyl-4-(4-pyridyl)-4H-pyrano[2,3-c]pyrazol-1-yl]benzoate CAS Name: 4-(6-amino-5-cyano-3-methyl-4-pyridin-4-yl-4H-pyrano[2,3-c]pyrazol-1-yl)benzoic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 4-(6-amino-5-cyano-3-methyl-4-pyridin-4-yl-4H-pyrano[2,3-c]pyrazol-1-yl)benzoate Traditional Name: 4-[6-amino-5-cyano-3-methyl-4-(4-pyridyl)-4H-pyrano[2,3-c]pyrazol-1-yl]benzoic acid isoamyl ester Formula: C25H25N5O3 MolecularWeight: 443.4977

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C(C(=C(O2)N)C#N)C3=CC=NC=C3)C4=CC=C(C=C4)C(=O)OCCC(C)C

Isomeric SMILES

CC1=NN(C2=C1C(C(=C(O2)N)C#N)C3=CC=NC=C3)C4=CC=C(C=C4)C(=O)OCCC(C)C

InChI

InChI=1S/C25H25N5O3/c1-15(2)10-13-32-25(31)18-4-6-19(7-5-18)30-24-21(16(3)29-30)22(17-8-11-28-12-9-17)20(14-26)23(27)33-24/h4-9,11-12,15,22H,10,13,27H2,1-3H3