N-[2-[[(2-azanylcyclohexyl)-(4-methoxyphenyl)carbonyl-amino]methyl]phenyl]-4-nitro-benzamide

Systemtic Name: N-[2-[[(2-azanylcyclohexyl)-(4-methoxyphenyl)carbonyl-amino]methyl]phenyl]-4-nitro-benzamide Openeye Name: N-[2-[[(2-aminocyclohexyl)-(4-methoxybenzoyl)amino]methyl]phenyl]-4-nitro-benzamide CAS Name: N-[2-[[(2-aminocyclohexyl)-[(4-methoxyphenyl)-oxomethyl]amino]methyl]phenyl]-4-nitrobenzamide IUPAC Name: N-[2-[[(2-aminocyclohexyl)-(4-methoxybenzoyl)amino]methyl]phenyl]-4-nitrobenzamide Traditional Name: N-[2-[[(2-aminocyclohexyl)-p-anisoyl-amino]methyl]phenyl]-4-nitro-benzamide Formula: C28H30N4O5 MolecularWeight: 502.5616

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)N(CC2=CC=CC=C2NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C4CCCCC4N

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)N(CC2=CC=CC=C2NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C4CCCCC4N

InChI

InChI=1S/C28H30N4O5/c1-37-23-16-12-20(13-17-23)28(34)31(26-9-5-3-7-24(26)29)18-21-6-2-4-8-25(21)30-27(33)19-10-14-22(15-11-19)32(35)36/h2,4,6,8,10-17,24,26H,3,5,7,9,18,29H2,1H3,(H,30,33)