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

Systemtic Name: N-[2-[[(2-azanylcyclohexyl)-cyclohexylcarbonyl-amino]methyl]phenyl]-4-nitro-benzamide Openeye Name: N-[2-[[(2-aminocyclohexyl)-(cyclohexanecarbonyl)amino]methyl]phenyl]-4-nitro-benzamide CAS Name: N-[2-[[(2-aminocyclohexyl)-[cyclohexyl(oxo)methyl]amino]methyl]phenyl]-4-nitrobenzamide IUPAC Name: N-[2-[[(2-aminocyclohexyl)-(cyclohexanecarbonyl)amino]methyl]phenyl]-4-nitrobenzamide Traditional Name: N-[2-[[(2-aminocyclohexyl)-(cyclohexanecarbonyl)amino]methyl]phenyl]-4-nitro-benzamide Formula: C27H34N4O4 MolecularWeight: 478.58326

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)N(CC2=CC=CC=C2NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C4CCCCC4N

Isomeric SMILES

C1CCC(CC1)C(=O)N(CC2=CC=CC=C2NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C4CCCCC4N

InChI

InChI=1S/C27H34N4O4/c28-23-11-5-7-13-25(23)30(27(33)20-8-2-1-3-9-20)18-21-10-4-6-12-24(21)29-26(32)19-14-16-22(17-15-19)31(34)35/h4,6,10,12,14-17,20,23,25H,1-3,5,7-9,11,13,18,28H2,(H,29,32)