3-[3,5-dimethyl-4-[3-oxidanylidene-3-(2-pyridin-4-ylpyrrolidin-1-yl)propyl]pyrazol-1-yl]propanenitrile

Systemtic Name: 3-[3,5-dimethyl-4-[3-oxidanylidene-3-(2-pyridin-4-ylpyrrolidin-1-yl)propyl]pyrazol-1-yl]propanenitrile Openeye Name: 3-[3,5-dimethyl-4-[3-oxo-3-[2-(4-pyridyl)pyrrolidin-1-yl]propyl]pyrazol-1-yl]propanenitrile CAS Name: 3-[3,5-dimethyl-4-[3-oxo-3-(2-pyridin-4-yl-1-pyrrolidinyl)propyl]-1-pyrazolyl]propanenitrile IUPAC Name: 3-[3,5-dimethyl-4-[3-oxo-3-(2-pyridin-4-ylpyrrolidin-1-yl)propyl]pyrazol-1-yl]propanenitrile Traditional Name: 3-[4-[3-keto-3-[2-(4-pyridyl)pyrrolidino]propyl]-3,5-dimethyl-pyrazol-1-yl]propionitrile Formula: C20H25N5O MolecularWeight: 351.4454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCC#N)C)CCC(=O)N2CCCC2C3=CC=NC=C3

Isomeric SMILES

CC1=C(C(=NN1CCC#N)C)CCC(=O)N2CCCC2C3=CC=NC=C3

InChI

InChI=1S/C20H25N5O/c1-15-18(16(2)25(23-15)14-4-10-21)6-7-20(26)24-13-3-5-19(24)17-8-11-22-12-9-17/h8-9,11-12,19H,3-7,13-14H2,1-2H3