N-[3-[[(2-azanylcyclohexyl)-cyclohexylcarbonyl-amino]methyl]phenyl]-4-nitro-benzamide

Systemtic Name: N-[3-[[(2-azanylcyclohexyl)-cyclohexylcarbonyl-amino]methyl]phenyl]-4-nitro-benzamide Openeye Name: N-[3-[[(2-aminocyclohexyl)-(cyclohexanecarbonyl)amino]methyl]phenyl]-4-nitro-benzamide CAS Name: N-[3-[[(2-aminocyclohexyl)-[cyclohexyl(oxo)methyl]amino]methyl]phenyl]-4-nitrobenzamide IUPAC Name: N-[3-[[(2-aminocyclohexyl)-(cyclohexanecarbonyl)amino]methyl]phenyl]-4-nitrobenzamide Traditional Name: N-[3-[[(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=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C4CCCCC4N

Isomeric SMILES

C1CCC(CC1)C(=O)N(CC2=CC(=CC=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C4CCCCC4N

InChI

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