3-(benzimidazol-1-yl)-1-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]propan-1-one

Systemtic Name: 3-(benzimidazol-1-yl)-1-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]propan-1-one Openeye Name: 3-(benzimidazol-1-yl)-1-[4-(4-chloro-2-nitro-phenyl)piperazin-1-yl]propan-1-one CAS Name: 3-(1-benzimidazolyl)-1-[4-(4-chloro-2-nitrophenyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-(benzimidazol-1-yl)-1-[4-(4-chloro-2-nitrophenyl)piperazin-1-yl]propan-1-one Traditional Name: 3-(benzimidazol-1-yl)-1-[4-(4-chloro-2-nitro-phenyl)piperazino]propan-1-one Formula: C20H20ClN5O3 MolecularWeight: 413.8575

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)Cl)[N+](=O)[O-])C(=O)CCN3C=NC4=CC=CC=C43

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)Cl)[N+](=O)[O-])C(=O)CCN3C=NC4=CC=CC=C43

InChI

InChI=1S/C20H20ClN5O3/c21-15-5-6-18(19(13-15)26(28)29)23-9-11-24(12-10-23)20(27)7-8-25-14-22-16-3-1-2-4-17(16)25/h1-6,13-14H,7-12H2