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

Systemtic Name: 3-[3,5-dimethyl-4-[3-[2-(4-methylphenyl)pyrrolidin-1-yl]-3-oxidanylidene-propyl]pyrazol-1-yl]propanenitrile Openeye Name: 3-[3,5-dimethyl-4-[3-oxo-3-[2-(p-tolyl)pyrrolidin-1-yl]propyl]pyrazol-1-yl]propanenitrile CAS Name: 3-[3,5-dimethyl-4-[3-[2-(4-methylphenyl)-1-pyrrolidinyl]-3-oxopropyl]-1-pyrazolyl]propanenitrile IUPAC Name: 3-[3,5-dimethyl-4-[3-[2-(4-methylphenyl)pyrrolidin-1-yl]-3-oxopropyl]pyrazol-1-yl]propanenitrile Traditional Name: 3-[4-[3-keto-3-[2-(p-tolyl)pyrrolidino]propyl]-3,5-dimethyl-pyrazol-1-yl]propionitrile Formula: C22H28N4O MolecularWeight: 364.48392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2CCCN2C(=O)CCC3=C(N(N=C3C)CCC#N)C

Isomeric SMILES

CC1=CC=C(C=C1)C2CCCN2C(=O)CCC3=C(N(N=C3C)CCC#N)C

InChI

InChI=1S/C22H28N4O/c1-16-7-9-19(10-8-16)21-6-4-14-25(21)22(27)12-11-20-17(2)24-26(18(20)3)15-5-13-23/h7-10,21H,4-6,11-12,14-15H2,1-3H3