[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-chloranyl-2-nitro-phenyl)methanone

Systemtic Name: [(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-chloranyl-2-nitro-phenyl)methanone Openeye Name: [(3S)-3-(1H-benzimidazol-2-yl)-1-piperidyl]-(4-chloro-2-nitro-phenyl)methanone CAS Name: [(3S)-3-(1H-benzimidazol-2-yl)-1-piperidinyl]-(4-chloro-2-nitrophenyl)methanone IUPAC Name: [(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-chloro-2-nitrophenyl)methanone Traditional Name: [(3S)-3-(1H-benzimidazol-2-yl)piperidino]-(4-chloro-2-nitro-phenyl)methanone Formula: C19H17ClN4O3 MolecularWeight: 384.81628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17ClN4O3/c20-13-7-8-14(17(10-13)24(26)27)19(25)23-9-3-4-12(11-23)18-21-15-5-1-2-6-16(15)22-18/h1-2,5-8,10,12H,3-4,9,11H2,(H,21,22)/t12-/m0/s1