5-[4-(2-chlorophenyl)carbonylpiperazin-1-yl]-1,3-dimethyl-6-nitro-benzimidazol-2-one

Systemtic Name: 5-[4-(2-chlorophenyl)carbonylpiperazin-1-yl]-1,3-dimethyl-6-nitro-benzimidazol-2-one Openeye Name: 5-[4-(2-chlorobenzoyl)piperazin-1-yl]-1,3-dimethyl-6-nitro-benzimidazol-2-one CAS Name: 5-[4-[(2-chlorophenyl)-oxomethyl]-1-piperazinyl]-1,3-dimethyl-6-nitro-2-benzimidazolone IUPAC Name: 5-[4-(2-chlorobenzoyl)piperazin-1-yl]-1,3-dimethyl-6-nitrobenzimidazol-2-one Traditional Name: 5-[4-(2-chlorobenzoyl)piperazino]-1,3-dimethyl-6-nitro-benzimidazol-2-one Formula: C20H20ClN5O4 MolecularWeight: 429.8569

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC(=C(C=C2N(C1=O)C)[N+](=O)[O-])N3CCN(CC3)C(=O)C4=CC=CC=C4Cl

Isomeric SMILES

CN1C2=CC(=C(C=C2N(C1=O)C)[N+](=O)[O-])N3CCN(CC3)C(=O)C4=CC=CC=C4Cl

InChI

InChI=1S/C20H20ClN5O4/c1-22-15-11-17(18(26(29)30)12-16(15)23(2)20(22)28)24-7-9-25(10-8-24)19(27)13-5-3-4-6-14(13)21/h3-6,11-12H,7-10H2,1-2H3