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

Systemtic Name: 1-[3-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]-3-oxidanylidene-propyl]-3-methyl-benzimidazol-2-one Openeye Name: 1-[3-[4-(4-chloro-2-nitro-phenyl)piperazin-1-yl]-3-oxo-propyl]-3-methyl-benzimidazol-2-one CAS Name: 1-[3-[4-(4-chloro-2-nitrophenyl)-1-piperazinyl]-3-oxopropyl]-3-methyl-2-benzimidazolone IUPAC Name: 1-[3-[4-(4-chloro-2-nitrophenyl)piperazin-1-yl]-3-oxopropyl]-3-methylbenzimidazol-2-one Traditional Name: 1-[3-[4-(4-chloro-2-nitro-phenyl)piperazino]-3-keto-propyl]-3-methyl-benzimidazol-2-one Formula: C21H22ClN5O4 MolecularWeight: 443.88348

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N(C1=O)CCC(=O)N3CCN(CC3)C4=C(C=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

CN1C2=CC=CC=C2N(C1=O)CCC(=O)N3CCN(CC3)C4=C(C=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H22ClN5O4/c1-23-16-4-2-3-5-18(16)26(21(23)29)9-8-20(28)25-12-10-24(11-13-25)17-7-6-15(22)14-19(17)27(30)31/h2-7,14H,8-13H2,1H3