4-[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]carbonylbenzenecarbonitrile

Systemtic Name: 4-[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]carbonylbenzenecarbonitrile Openeye Name: 4-[(3S)-3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]benzonitrile CAS Name: 4-[[(3S)-3-(1H-benzimidazol-2-yl)-1-piperidinyl]-oxomethyl]benzonitrile IUPAC Name: 4-[(3S)-3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]benzonitrile Traditional Name: 4-[(3S)-3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]benzonitrile Formula: C20H18N4O MolecularWeight: 330.38312

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=CC=C(C=C2)C#N)C3=NC4=CC=CC=C4N3

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)C2=CC=C(C=C2)C#N)C3=NC4=CC=CC=C4N3

InChI

InChI=1S/C20H18N4O/c21-12-14-7-9-15(10-8-14)20(25)24-11-3-4-16(13-24)19-22-17-5-1-2-6-18(17)23-19/h1-2,5-10,16H,3-4,11,13H2,(H,22,23)/t16-/m0/s1