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

Systemtic Name: N-[5-[3-[[(4-azanylcyclohexyl)-(2-phenylethanoyl)amino]methyl]phenyl]-2-morpholin-4-yl-phenyl]-4-nitro-benzamide Openeye Name: N-[5-[3-[[(4-aminocyclohexyl)-(2-phenylacetyl)amino]methyl]phenyl]-2-morpholino-phenyl]-4-nitro-benzamide CAS Name: N-[5-[3-[[(4-aminocyclohexyl)-(1-oxo-2-phenylethyl)amino]methyl]phenyl]-2-(4-morpholinyl)phenyl]-4-nitrobenzamide IUPAC Name: N-[5-[3-[[(4-aminocyclohexyl)-(2-phenylacetyl)amino]methyl]phenyl]-2-morpholin-4-ylphenyl]-4-nitrobenzamide Traditional Name: N-[5-[3-[[(4-aminocyclohexyl)-(2-phenylacetyl)amino]methyl]phenyl]-2-morpholino-phenyl]-4-nitro-benzamide Formula: C38H41N5O5 MolecularWeight: 647.76264

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1N)N(CC2=CC=CC(=C2)C3=CC(=C(C=C3)N4CCOCC4)NC(=O)C5=CC=C(C=C5)[N+](=O)[O-])C(=O)CC6=CC=CC=C6

Isomeric SMILES

C1CC(CCC1N)N(CC2=CC=CC(=C2)C3=CC(=C(C=C3)N4CCOCC4)NC(=O)C5=CC=C(C=C5)[N+](=O)[O-])C(=O)CC6=CC=CC=C6

InChI

InChI=1S/C38H41N5O5/c39-32-12-16-33(17-13-32)42(37(44)24-27-5-2-1-3-6-27)26-28-7-4-8-30(23-28)31-11-18-36(41-19-21-48-22-20-41)35(25-31)40-38(45)29-9-14-34(15-10-29)43(46)47/h1-11,14-15,18,23,25,32-33H,12-13,16-17,19-22,24,26,39H2,(H,40,45)