2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-3-oxidanylidene-butanenitrile

Systemtic Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-3-oxidanylidene-butanenitrile Openeye Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[(3R,5R)-3,5-dimethyl-1-piperidyl]-3-oxo-butanenitrile CAS Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[(3R,5R)-3,5-dimethyl-1-piperidinyl]-3-oxobutanenitrile IUPAC Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-3-oxobutanenitrile Traditional Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[(3R,5R)-3,5-dimethylpiperidino]-3-keto-butyronitrile Formula: C18H22N4O MolecularWeight: 310.39348

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)CC(=O)C(=C2NC3=CC=CC=C3N2)C#N)C

Isomeric SMILES

C[C@@H]1C[C@H](CN(C1)CC(=O)C(=C2NC3=CC=CC=C3N2)C#N)C

InChI

InChI=1S/C18H22N4O/c1-12-7-13(2)10-22(9-12)11-17(23)14(8-19)18-20-15-5-3-4-6-16(15)21-18/h3-6,12-13,20-21H,7,9-11H2,1-2H3/t12-,13-/m1/s1