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

Systemtic Name: N-[4-[[(4-azanylcyclohexyl)-cyclohexylcarbonyl-amino]methyl]phenyl]-4-nitro-benzamide Openeye Name: N-[4-[[(4-aminocyclohexyl)-(cyclohexanecarbonyl)amino]methyl]phenyl]-4-nitro-benzamide CAS Name: N-[4-[[(4-aminocyclohexyl)-[cyclohexyl(oxo)methyl]amino]methyl]phenyl]-4-nitrobenzamide IUPAC Name: N-[4-[[(4-aminocyclohexyl)-(cyclohexanecarbonyl)amino]methyl]phenyl]-4-nitrobenzamide Traditional Name: N-[4-[[(4-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=C(C=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C4CCC(CC4)N

Isomeric SMILES

C1CCC(CC1)C(=O)N(CC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C4CCC(CC4)N

InChI

InChI=1S/C27H34N4O4/c28-22-10-16-24(17-11-22)30(27(33)21-4-2-1-3-5-21)18-19-6-12-23(13-7-19)29-26(32)20-8-14-25(15-9-20)31(34)35/h6-9,12-15,21-22,24H,1-5,10-11,16-18,28H2,(H,29,32)