N-(4-azanylcyclohexyl)-4-(4-morpholin-4-ylcarbonyl-1,4-diazepan-1-yl)-3-[(4-nitrophenyl)carbonylamino]benzamide

Systemtic Name: N-(4-azanylcyclohexyl)-4-(4-morpholin-4-ylcarbonyl-1,4-diazepan-1-yl)-3-[(4-nitrophenyl)carbonylamino]benzamide Openeye Name: N-(4-aminocyclohexyl)-4-[4-(morpholine-4-carbonyl)-1,4-diazepan-1-yl]-3-[(4-nitrobenzoyl)amino]benzamide CAS Name: N-(4-aminocyclohexyl)-4-[4-[4-morpholinyl(oxo)methyl]-1,4-diazepan-1-yl]-3-[[(4-nitrophenyl)-oxomethyl]amino]benzamide IUPAC Name: N-(4-aminocyclohexyl)-4-[4-(morpholine-4-carbonyl)-1,4-diazepan-1-yl]-3-[(4-nitrobenzoyl)amino]benzamide Traditional Name: N-(4-aminocyclohexyl)-4-[4-(morpholine-4-carbonyl)-1,4-diazepan-1-yl]-3-[(4-nitrobenzoyl)amino]benzamide Formula: C30H39N7O6 MolecularWeight: 593.67396

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)N2CCOCC2)C3=C(C=C(C=C3)C(=O)NC4CCC(CC4)N)NC(=O)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN(C1)C(=O)N2CCOCC2)C3=C(C=C(C=C3)C(=O)NC4CCC(CC4)N)NC(=O)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C30H39N7O6/c31-23-5-7-24(8-6-23)32-29(39)22-4-11-27(26(20-22)33-28(38)21-2-9-25(10-3-21)37(41)42)34-12-1-13-35(15-14-34)30(40)36-16-18-43-19-17-36/h2-4,9-11,20,23-24H,1,5-8,12-19,31H2,(H,32,39)(H,33,38)