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

Systemtic Name: N-[4-[[(4-azanylcyclohexyl)-(phenylcarbonyl)amino]methyl]phenyl]-4-nitro-benzamide Openeye Name: N-[4-[[(4-aminocyclohexyl)-benzoyl-amino]methyl]phenyl]-4-nitro-benzamide CAS Name: N-[4-[[(4-aminocyclohexyl)-benzoylamino]methyl]phenyl]-4-nitrobenzamide IUPAC Name: N-[4-[[(4-aminocyclohexyl)-benzoylamino]methyl]phenyl]-4-nitrobenzamide Traditional Name: N-[4-[[(4-aminocyclohexyl)-benzoyl-amino]methyl]phenyl]-4-nitro-benzamide Formula: C27H28N4O4 MolecularWeight: 472.53562

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1N)N(CC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)C4=CC=CC=C4

Isomeric SMILES

C1CC(CCC1N)N(CC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H28N4O4/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/h1-9,12-15,22,24H,10-11,16-18,28H2,(H,29,32)