N-[5-[3-[[(4-azanylcyclohexyl)-cyclopropylcarbonyl-amino]methyl]phenyl]-2-morpholin-4-yl-phenyl]-4-nitro-benzamide

Systemtic Name: N-[5-[3-[[(4-azanylcyclohexyl)-cyclopropylcarbonyl-amino]methyl]phenyl]-2-morpholin-4-yl-phenyl]-4-nitro-benzamide Openeye Name: N-[5-[3-[[(4-aminocyclohexyl)-(cyclopropanecarbonyl)amino]methyl]phenyl]-2-morpholino-phenyl]-4-nitro-benzamide CAS Name: N-[5-[3-[[(4-aminocyclohexyl)-[cyclopropyl(oxo)methyl]amino]methyl]phenyl]-2-(4-morpholinyl)phenyl]-4-nitrobenzamide IUPAC Name: N-[5-[3-[[(4-aminocyclohexyl)-(cyclopropanecarbonyl)amino]methyl]phenyl]-2-morpholin-4-ylphenyl]-4-nitrobenzamide Traditional Name: N-[5-[3-[[(4-aminocyclohexyl)-(cyclopropanecarbonyl)amino]methyl]phenyl]-2-morpholino-phenyl]-4-nitro-benzamide Formula: C34H39N5O5 MolecularWeight: 597.70396

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)N(CC2=CC=CC(=C2)C3=CC(=C(C=C3)N4CCOCC4)NC(=O)C5=CC=C(C=C5)[N+](=O)[O-])C6CCC(CC6)N

Isomeric SMILES

C1CC1C(=O)N(CC2=CC=CC(=C2)C3=CC(=C(C=C3)N4CCOCC4)NC(=O)C5=CC=C(C=C5)[N+](=O)[O-])C6CCC(CC6)N

InChI

InChI=1S/C34H39N5O5/c35-28-9-13-29(14-10-28)38(34(41)25-4-5-25)22-23-2-1-3-26(20-23)27-8-15-32(37-16-18-44-19-17-37)31(21-27)36-33(40)24-6-11-30(12-7-24)39(42)43/h1-3,6-8,11-12,15,20-21,25,28-29H,4-5,9-10,13-14,16-19,22,35H2,(H,36,40)