(4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 2-pyrrolidin-1-ylpyridine-3-carboxylate

Systemtic Name: (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 2-pyrrolidin-1-ylpyridine-3-carboxylate Openeye Name: (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 2-pyrrolidin-1-ylpyridine-3-carboxylate CAS Name: 2-(1-pyrrolidinyl)-3-pyridinecarboxylic acid (4-cyano-5-methyl-2-phenyl-3-pyrazolyl)methyl ester IUPAC Name: (4-cyano-5-methyl-2-phenylpyrazol-3-yl)methyl 2-pyrrolidin-1-ylpyridine-3-carboxylate Traditional Name: 2-pyrrolidinonicotinic acid (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl ester Formula: C22H21N5O2 MolecularWeight: 387.43444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C#N)COC(=O)C2=C(N=CC=C2)N3CCCC3)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1C#N)COC(=O)C2=C(N=CC=C2)N3CCCC3)C4=CC=CC=C4

InChI

InChI=1S/C22H21N5O2/c1-16-19(14-23)20(27(25-16)17-8-3-2-4-9-17)15-29-22(28)18-10-7-11-24-21(18)26-12-5-6-13-26/h2-4,7-11H,5-6,12-13,15H2,1H3