4-[[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]amino]methyl]-3-nitro-benzamide

Systemtic Name: 4-[[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]amino]methyl]-3-nitro-benzamide Openeye Name: 4-[[2-[[cyclohexyl(methyl)amino]methyl]anilino]methyl]-3-nitro-benzamide CAS Name: 4-[[2-[[cyclohexyl(methyl)amino]methyl]anilino]methyl]-3-nitrobenzamide IUPAC Name: 4-[[2-[[cyclohexyl(methyl)amino]methyl]anilino]methyl]-3-nitrobenzamide Traditional Name: 4-[[2-[[cyclohexyl(methyl)amino]methyl]anilino]methyl]-3-nitro-benzamide Formula: C22H28N4O3 MolecularWeight: 396.48272

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1NCC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])C3CCCCC3

Isomeric SMILES

CN(CC1=CC=CC=C1NCC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])C3CCCCC3

InChI

InChI=1S/C22H28N4O3/c1-25(19-8-3-2-4-9-19)15-18-7-5-6-10-20(18)24-14-17-12-11-16(22(23)27)13-21(17)26(28)29/h5-7,10-13,19,24H,2-4,8-9,14-15H2,1H3,(H2,23,27)