N-(4-azanylcyclohexyl)-4-(4-ethanoylpiperazin-1-yl)-3-nitro-benzamide

Systemtic Name: N-(4-azanylcyclohexyl)-4-(4-ethanoylpiperazin-1-yl)-3-nitro-benzamide Openeye Name: 4-(4-acetylpiperazin-1-yl)-N-(4-aminocyclohexyl)-3-nitro-benzamide CAS Name: 4-(4-acetyl-1-piperazinyl)-N-(4-aminocyclohexyl)-3-nitrobenzamide IUPAC Name: 4-(4-acetylpiperazin-1-yl)-N-(4-aminocyclohexyl)-3-nitrobenzamide Traditional Name: 4-(4-acetylpiperazino)-N-(4-aminocyclohexyl)-3-nitro-benzamide Formula: C19H27N5O4 MolecularWeight: 389.44878

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3CCC(CC3)N)[N+](=O)[O-]

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3CCC(CC3)N)[N+](=O)[O-]

InChI

InChI=1S/C19H27N5O4/c1-13(25)22-8-10-23(11-9-22)17-7-2-14(12-18(17)24(27)28)19(26)21-16-5-3-15(20)4-6-16/h2,7,12,15-16H,3-6,8-11,20H2,1H3,(H,21,26)