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

Systemtic Name: 3-[3,5-dimethyl-4-[3-oxidanylidene-3-(4-phenylpiperazin-1-yl)propyl]pyrazol-1-yl]propanenitrile Openeye Name: 3-[3,5-dimethyl-4-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]pyrazol-1-yl]propanenitrile CAS Name: 3-[3,5-dimethyl-4-[3-oxo-3-(4-phenyl-1-piperazinyl)propyl]-1-pyrazolyl]propanenitrile IUPAC Name: 3-[3,5-dimethyl-4-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]pyrazol-1-yl]propanenitrile Traditional Name: 3-[4-[3-keto-3-(4-phenylpiperazino)propyl]-3,5-dimethyl-pyrazol-1-yl]propionitrile Formula: C21H27N5O MolecularWeight: 365.47198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCC#N)C)CCC(=O)N2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=NN1CCC#N)C)CCC(=O)N2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C21H27N5O/c1-17-20(18(2)26(23-17)12-6-11-22)9-10-21(27)25-15-13-24(14-16-25)19-7-4-3-5-8-19/h3-5,7-8H,6,9-10,12-16H2,1-2H3