N-[[1-(dimethylamino)cycloheptyl]methyl]-4-(4-ethanoylpiperazin-1-yl)-3-nitro-benzamide

Systemtic Name: N-[[1-(dimethylamino)cycloheptyl]methyl]-4-(4-ethanoylpiperazin-1-yl)-3-nitro-benzamide Openeye Name: 4-(4-acetylpiperazin-1-yl)-N-[[1-(dimethylamino)cycloheptyl]methyl]-3-nitro-benzamide CAS Name: 4-(4-acetyl-1-piperazinyl)-N-[[1-(dimethylamino)cycloheptyl]methyl]-3-nitrobenzamide IUPAC Name: 4-(4-acetylpiperazin-1-yl)-N-[[1-(dimethylamino)cycloheptyl]methyl]-3-nitrobenzamide Traditional Name: 4-(4-acetylpiperazino)-N-[[1-(dimethylamino)cycloheptyl]methyl]-3-nitro-benzamide Formula: C23H35N5O4 MolecularWeight: 445.5551

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)NCC3(CCCCCC3)N(C)C)[N+](=O)[O-]

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)NCC3(CCCCCC3)N(C)C)[N+](=O)[O-]

InChI

InChI=1S/C23H35N5O4/c1-18(29)26-12-14-27(15-13-26)20-9-8-19(16-21(20)28(31)32)22(30)24-17-23(25(2)3)10-6-4-5-7-11-23/h8-9,16H,4-7,10-15,17H2,1-3H3,(H,24,30)