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

Systemtic Name: 3-[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-3-oxidanylidene-piperazin-1-yl]propanenitrile Openeye Name: 3-[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-3-oxo-piperazin-1-yl]propanenitrile CAS Name: 3-[2-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-3-oxo-1-piperazinyl]propanenitrile IUPAC Name: 3-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-oxopiperazin-1-yl]propanenitrile Traditional Name: 3-[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-3-keto-piperazino]propionitrile Formula: C18H21N5O MolecularWeight: 323.39224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C3C(=O)NCCN3CCC#N

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)C3C(=O)NCCN3CCC#N

InChI

InChI=1S/C18H21N5O/c1-13-16(14(2)23(21-13)15-7-4-3-5-8-15)17-18(24)20-10-12-22(17)11-6-9-19/h3-5,7-8,17H,6,10-12H2,1-2H3,(H,20,24)