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

Systemtic Name: 3-[3,5-dimethyl-4-[3-oxidanylidene-3-(4-piperidin-1-ylcarbonylpiperazin-1-yl)propyl]pyrazol-1-yl]propanenitrile Openeye Name: 3-[3,5-dimethyl-4-[3-oxo-3-[4-(piperidine-1-carbonyl)piperazin-1-yl]propyl]pyrazol-1-yl]propanenitrile CAS Name: 3-[3,5-dimethyl-4-[3-oxo-3-[4-[oxo(1-piperidinyl)methyl]-1-piperazinyl]propyl]-1-pyrazolyl]propanenitrile IUPAC Name: 3-[3,5-dimethyl-4-[3-oxo-3-[4-(piperidine-1-carbonyl)piperazin-1-yl]propyl]pyrazol-1-yl]propanenitrile Traditional Name: 3-[4-[3-keto-3-[4-(piperidine-1-carbonyl)piperazino]propyl]-3,5-dimethyl-pyrazol-1-yl]propionitrile Formula: C21H32N6O2 MolecularWeight: 400.51778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCC#N)C)CCC(=O)N2CCN(CC2)C(=O)N3CCCCC3

Isomeric SMILES

CC1=C(C(=NN1CCC#N)C)CCC(=O)N2CCN(CC2)C(=O)N3CCCCC3

InChI

InChI=1S/C21H32N6O2/c1-17-19(18(2)27(23-17)12-6-9-22)7-8-20(28)24-13-15-26(16-14-24)21(29)25-10-4-3-5-11-25/h3-8,10-16H2,1-2H3