(4S)-2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[(3S)-3-methylpiperidin-1-yl]-3-oxidanylidene-pentanenitrile

Systemtic Name: (4S)-2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[(3S)-3-methylpiperidin-1-yl]-3-oxidanylidene-pentanenitrile Openeye Name: (4S)-2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[(3S)-3-methyl-1-piperidyl]-3-oxo-pentanenitrile CAS Name: (4S)-2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[(3S)-3-methyl-1-piperidinyl]-3-oxopentanenitrile IUPAC Name: (4S)-2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[(3S)-3-methylpiperidin-1-yl]-3-oxopentanenitrile Traditional Name: (4S)-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-keto-4-[(3S)-3-methylpiperidino]valeronitrile Formula: C18H22N4O MolecularWeight: 310.39348

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(C)C(=O)C(=C2NC3=CC=CC=C3N2)C#N

Isomeric SMILES

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

InChI

InChI=1S/C18H22N4O/c1-12-6-5-9-22(11-12)13(2)17(23)14(10-19)18-20-15-7-3-4-8-16(15)21-18/h3-4,7-8,12-13,20-21H,5-6,9,11H2,1-2H3/t12-,13-/m0/s1