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

Systemtic Name: [(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-nitrophenyl)methanone Openeye Name: [(3S)-3-(1H-benzimidazol-2-yl)-1-piperidyl]-(4-nitrophenyl)methanone CAS Name: [(3S)-3-(1H-benzimidazol-2-yl)-1-piperidinyl]-(4-nitrophenyl)methanone IUPAC Name: [(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-nitrophenyl)methanone Traditional Name: [(3S)-3-(1H-benzimidazol-2-yl)piperidino]-(4-nitrophenyl)methanone Formula: C19H18N4O3 MolecularWeight: 350.37122

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N4O3/c24-19(13-7-9-15(10-8-13)23(25)26)22-11-3-4-14(12-22)18-20-16-5-1-2-6-17(16)21-18/h1-2,5-10,14H,3-4,11-12H2,(H,20,21)/t14-/m0/s1