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

Systemtic Name: N-[3-[[(2-azanylcyclohexyl)-(phenylcarbonyl)amino]methyl]phenyl]-4-nitro-benzamide Openeye Name: N-[3-[[(2-aminocyclohexyl)-benzoyl-amino]methyl]phenyl]-4-nitro-benzamide CAS Name: N-[3-[[(2-aminocyclohexyl)-benzoylamino]methyl]phenyl]-4-nitrobenzamide IUPAC Name: N-[3-[[(2-aminocyclohexyl)-benzoylamino]methyl]phenyl]-4-nitrobenzamide Traditional Name: N-[3-[[(2-aminocyclohexyl)-benzoyl-amino]methyl]phenyl]-4-nitro-benzamide Formula: C27H28N4O4 MolecularWeight: 472.53562

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)N)N(CC2=CC(=CC=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)C4=CC=CC=C4

Isomeric SMILES

C1CCC(C(C1)N)N(CC2=CC(=CC=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H28N4O4/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/h1-3,6-10,13-17,24-25H,4-5,11-12,18,28H2,(H,29,32)