4-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-nitro-benzenecarbonitrile

Systemtic Name: 4-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-nitro-benzenecarbonitrile Openeye Name: 4-[3-(1H-benzimidazol-2-yl)-1-piperidyl]-3-nitro-benzonitrile CAS Name: 4-[3-(1H-benzimidazol-2-yl)-1-piperidinyl]-3-nitrobenzonitrile IUPAC Name: 4-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-nitrobenzonitrile Traditional Name: 4-[3-(1H-benzimidazol-2-yl)piperidino]-3-nitro-benzonitrile Formula: C19H17N5O2 MolecularWeight: 347.37058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=C(C=C(C=C2)C#N)[N+](=O)[O-])C3=NC4=CC=CC=C4N3

Isomeric SMILES

C1CC(CN(C1)C2=C(C=C(C=C2)C#N)[N+](=O)[O-])C3=NC4=CC=CC=C4N3

InChI

InChI=1S/C19H17N5O2/c20-11-13-7-8-17(18(10-13)24(25)26)23-9-3-4-14(12-23)19-21-15-5-1-2-6-16(15)22-19/h1-2,5-8,10,14H,3-4,9,12H2,(H,21,22)