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

Systemtic Name: 1,3-dimethyl-5-nitro-6-[4-(3-phenylpropanoyl)piperazin-1-yl]benzimidazol-2-one Openeye Name: 1,3-dimethyl-5-nitro-6-[4-(3-phenylpropanoyl)piperazin-1-yl]benzimidazol-2-one CAS Name: 1,3-dimethyl-5-nitro-6-[4-(1-oxo-3-phenylpropyl)-1-piperazinyl]-2-benzimidazolone IUPAC Name: 1,3-dimethyl-5-nitro-6-[4-(3-phenylpropanoyl)piperazin-1-yl]benzimidazol-2-one Traditional Name: 5-(4-hydrocinnamoylpiperazino)-1,3-dimethyl-6-nitro-benzimidazol-2-one Formula: C22H25N5O4 MolecularWeight: 423.465

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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)CCC4=CC=CC=C4

Isomeric SMILES

CN1C2=CC(=C(C=C2N(C1=O)C)[N+](=O)[O-])N3CCN(CC3)C(=O)CCC4=CC=CC=C4

InChI

InChI=1S/C22H25N5O4/c1-23-17-14-19(20(27(30)31)15-18(17)24(2)22(23)29)25-10-12-26(13-11-25)21(28)9-8-16-6-4-3-5-7-16/h3-7,14-15H,8-13H2,1-2H3