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

Systemtic Name: 3-[3,5-dimethyl-4-[3-oxidanylidene-3-(4-phenylmethoxypiperidin-1-yl)propyl]pyrazol-1-yl]propanenitrile Openeye Name: 3-[4-[3-(4-benzyloxy-1-piperidyl)-3-oxo-propyl]-3,5-dimethyl-pyrazol-1-yl]propanenitrile CAS Name: 3-[3,5-dimethyl-4-[3-oxo-3-(4-phenylmethoxy-1-piperidinyl)propyl]-1-pyrazolyl]propanenitrile IUPAC Name: 3-[3,5-dimethyl-4-[3-oxo-3-(4-phenylmethoxypiperidin-1-yl)propyl]pyrazol-1-yl]propanenitrile Traditional Name: 3-[4-[3-(4-benzoxypiperidino)-3-keto-propyl]-3,5-dimethyl-pyrazol-1-yl]propionitrile Formula: C23H30N4O2 MolecularWeight: 394.5099

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCC#N)C)CCC(=O)N2CCC(CC2)OCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=NN1CCC#N)C)CCC(=O)N2CCC(CC2)OCC3=CC=CC=C3

InChI

InChI=1S/C23H30N4O2/c1-18-22(19(2)27(25-18)14-6-13-24)9-10-23(28)26-15-11-21(12-16-26)29-17-20-7-4-3-5-8-20/h3-5,7-8,21H,6,9-12,14-17H2,1-2H3