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

Systemtic Name: 3-[3,5-dimethyl-4-[3-(4-morpholin-4-ylcarbonylpiperidin-1-yl)-3-oxidanylidene-propyl]pyrazol-1-yl]propanenitrile Openeye Name: 3-[3,5-dimethyl-4-[3-[4-(morpholine-4-carbonyl)-1-piperidyl]-3-oxo-propyl]pyrazol-1-yl]propanenitrile CAS Name: 3-[3,5-dimethyl-4-[3-[4-[4-morpholinyl(oxo)methyl]-1-piperidinyl]-3-oxopropyl]-1-pyrazolyl]propanenitrile IUPAC Name: 3-[3,5-dimethyl-4-[3-[4-(morpholine-4-carbonyl)piperidin-1-yl]-3-oxopropyl]pyrazol-1-yl]propanenitrile Traditional Name: 3-[4-[3-keto-3-[4-(morpholine-4-carbonyl)piperidino]propyl]-3,5-dimethyl-pyrazol-1-yl]propionitrile Formula: C21H31N5O3 MolecularWeight: 401.50254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCC#N)C)CCC(=O)N2CCC(CC2)C(=O)N3CCOCC3

Isomeric SMILES

CC1=C(C(=NN1CCC#N)C)CCC(=O)N2CCC(CC2)C(=O)N3CCOCC3

InChI

InChI=1S/C21H31N5O3/c1-16-19(17(2)26(23-16)9-3-8-22)4-5-20(27)24-10-6-18(7-11-24)21(28)25-12-14-29-15-13-25/h18H,3-7,9-15H2,1-2H3