3-[4-[3-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-oxidanylidene-propyl]-3,5-dimethyl-pyrazol-1-yl]propanenitrile

Systemtic Name: 3-[4-[3-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-oxidanylidene-propyl]-3,5-dimethyl-pyrazol-1-yl]propanenitrile Openeye Name: 3-[4-[3-[3-(1H-benzimidazol-2-yl)-1-piperidyl]-3-oxo-propyl]-3,5-dimethyl-pyrazol-1-yl]propanenitrile CAS Name: 3-[4-[3-[3-(1H-benzimidazol-2-yl)-1-piperidinyl]-3-oxopropyl]-3,5-dimethyl-1-pyrazolyl]propanenitrile IUPAC Name: 3-[4-[3-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-oxopropyl]-3,5-dimethylpyrazol-1-yl]propanenitrile Traditional Name: 3-[4-[3-[3-(1H-benzimidazol-2-yl)piperidino]-3-keto-propyl]-3,5-dimethyl-pyrazol-1-yl]propionitrile Formula: C23H28N6O MolecularWeight: 404.50802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCC#N)C)CCC(=O)N2CCCC(C2)C3=NC4=CC=CC=C4N3

Isomeric SMILES

CC1=C(C(=NN1CCC#N)C)CCC(=O)N2CCCC(C2)C3=NC4=CC=CC=C4N3

InChI

InChI=1S/C23H28N6O/c1-16-19(17(2)29(27-16)14-6-12-24)10-11-22(30)28-13-5-7-18(15-28)23-25-20-8-3-4-9-21(20)26-23/h3-4,8-9,18H,5-7,10-11,13-15H2,1-2H3,(H,25,26)