3-[3,5-dimethyl-4-[3-(4-methyl-2-phenyl-piperazin-1-yl)-3-oxidanylidene-propyl]pyrazol-1-yl]propanenitrile

Systemtic Name: 3-[3,5-dimethyl-4-[3-(4-methyl-2-phenyl-piperazin-1-yl)-3-oxidanylidene-propyl]pyrazol-1-yl]propanenitrile Openeye Name: 3-[3,5-dimethyl-4-[3-(4-methyl-2-phenyl-piperazin-1-yl)-3-oxo-propyl]pyrazol-1-yl]propanenitrile CAS Name: 3-[3,5-dimethyl-4-[3-(4-methyl-2-phenyl-1-piperazinyl)-3-oxopropyl]-1-pyrazolyl]propanenitrile IUPAC Name: 3-[3,5-dimethyl-4-[3-(4-methyl-2-phenylpiperazin-1-yl)-3-oxopropyl]pyrazol-1-yl]propanenitrile Traditional Name: 3-[4-[3-keto-3-(4-methyl-2-phenyl-piperazino)propyl]-3,5-dimethyl-pyrazol-1-yl]propionitrile Formula: C22H29N5O MolecularWeight: 379.49856

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCC#N)C)CCC(=O)N2CCN(CC2C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C(=NN1CCC#N)C)CCC(=O)N2CCN(CC2C3=CC=CC=C3)C

InChI

InChI=1S/C22H29N5O/c1-17-20(18(2)27(24-17)13-7-12-23)10-11-22(28)26-15-14-25(3)16-21(26)19-8-5-4-6-9-19/h4-6,8-9,21H,7,10-11,13-16H2,1-3H3