3-[3-[4-[(4-chloranyl-2-nitro-phenyl)amino]piperidin-1-yl]propyl]-1H-benzimidazol-2-one

Systemtic Name: 3-[3-[4-[(4-chloranyl-2-nitro-phenyl)amino]piperidin-1-yl]propyl]-1H-benzimidazol-2-one Openeye Name: 3-[3-[4-(4-chloro-2-nitro-anilino)-1-piperidyl]propyl]-1H-benzimidazol-2-one CAS Name: 3-[3-[4-(4-chloro-2-nitroanilino)-1-piperidinyl]propyl]-1H-benzimidazol-2-one IUPAC Name: 3-[3-[4-(4-chloro-2-nitroanilino)piperidin-1-yl]propyl]-1H-benzimidazol-2-one Traditional Name: 3-[3-[4-(4-chloro-2-nitro-anilino)piperidino]propyl]-1H-benzimidazol-2-one Formula: C21H24ClN5O3 MolecularWeight: 429.89996

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC2=C(C=C(C=C2)Cl)[N+](=O)[O-])CCCN3C4=CC=CC=C4NC3=O

Isomeric SMILES

C1CN(CCC1NC2=C(C=C(C=C2)Cl)[N+](=O)[O-])CCCN3C4=CC=CC=C4NC3=O

InChI

InChI=1S/C21H24ClN5O3/c22-15-6-7-18(20(14-15)27(29)30)23-16-8-12-25(13-9-16)10-3-11-26-19-5-2-1-4-17(19)24-21(26)28/h1-2,4-7,14,16,23H,3,8-13H2,(H,24,28)