N-[3-[[(2-azanylcyclohexyl)-(4-methoxyphenyl)carbonyl-amino]methyl]-4-chloranyl-phenyl]-4-nitro-benzamide

Systemtic Name: N-[3-[[(2-azanylcyclohexyl)-(4-methoxyphenyl)carbonyl-amino]methyl]-4-chloranyl-phenyl]-4-nitro-benzamide Openeye Name: N-[3-[[(2-aminocyclohexyl)-(4-methoxybenzoyl)amino]methyl]-4-chloro-phenyl]-4-nitro-benzamide CAS Name: N-[3-[[(2-aminocyclohexyl)-[(4-methoxyphenyl)-oxomethyl]amino]methyl]-4-chlorophenyl]-4-nitrobenzamide IUPAC Name: N-[3-[[(2-aminocyclohexyl)-(4-methoxybenzoyl)amino]methyl]-4-chlorophenyl]-4-nitrobenzamide Traditional Name: N-[3-[[(2-aminocyclohexyl)-p-anisoyl-amino]methyl]-4-chloro-phenyl]-4-nitro-benzamide Formula: C28H29ClN4O5 MolecularWeight: 537.00666

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)N(CC2=C(C=CC(=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])Cl)C4CCCCC4N

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)N(CC2=C(C=CC(=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])Cl)C4CCCCC4N

InChI

InChI=1S/C28H29ClN4O5/c1-38-23-13-8-19(9-14-23)28(35)32(26-5-3-2-4-25(26)30)17-20-16-21(10-15-24(20)29)31-27(34)18-6-11-22(12-7-18)33(36)37/h6-16,25-26H,2-5,17,30H2,1H3,(H,31,34)