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

Systemtic Name: 3-[4-[3-[4-(2-hydroxyphenyl)piperazin-1-yl]-3-oxidanylidene-propyl]-3,5-dimethyl-pyrazol-1-yl]propanenitrile Openeye Name: 3-[4-[3-[4-(2-hydroxyphenyl)piperazin-1-yl]-3-oxo-propyl]-3,5-dimethyl-pyrazol-1-yl]propanenitrile CAS Name: 3-[4-[3-[4-(2-hydroxyphenyl)-1-piperazinyl]-3-oxopropyl]-3,5-dimethyl-1-pyrazolyl]propanenitrile IUPAC Name: 3-[4-[3-[4-(2-hydroxyphenyl)piperazin-1-yl]-3-oxopropyl]-3,5-dimethylpyrazol-1-yl]propanenitrile Traditional Name: 3-[4-[3-[4-(2-hydroxyphenyl)piperazino]-3-keto-propyl]-3,5-dimethyl-pyrazol-1-yl]propionitrile Formula: C21H27N5O2 MolecularWeight: 381.47138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCC#N)C)CCC(=O)N2CCN(CC2)C3=CC=CC=C3O

Isomeric SMILES

CC1=C(C(=NN1CCC#N)C)CCC(=O)N2CCN(CC2)C3=CC=CC=C3O

InChI

InChI=1S/C21H27N5O2/c1-16-18(17(2)26(23-16)11-5-10-22)8-9-21(28)25-14-12-24(13-15-25)19-6-3-4-7-20(19)27/h3-4,6-7,27H,5,8-9,11-15H2,1-2H3