N-[2-(4-cyclohexylcarbonyl-1,4-diazepan-1-yl)-5-(1,4-diazepan-1-ylcarbonyl)phenyl]-4-nitro-benzamide

Systemtic Name: N-[2-(4-cyclohexylcarbonyl-1,4-diazepan-1-yl)-5-(1,4-diazepan-1-ylcarbonyl)phenyl]-4-nitro-benzamide Openeye Name: N-[2-[4-(cyclohexanecarbonyl)-1,4-diazepan-1-yl]-5-(1,4-diazepane-1-carbonyl)phenyl]-4-nitro-benzamide CAS Name: N-[2-[4-[cyclohexyl(oxo)methyl]-1,4-diazepan-1-yl]-5-[1,4-diazepan-1-yl(oxo)methyl]phenyl]-4-nitrobenzamide IUPAC Name: N-[2-[4-(cyclohexanecarbonyl)-1,4-diazepan-1-yl]-5-(1,4-diazepane-1-carbonyl)phenyl]-4-nitrobenzamide Traditional Name: N-[2-[4-(cyclohexanecarbonyl)-1,4-diazepan-1-yl]-5-(1,4-diazepane-1-carbonyl)phenyl]-4-nitro-benzamide Formula: C31H40N6O5 MolecularWeight: 576.6865

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)N2CCCN(CC2)C3=C(C=C(C=C3)C(=O)N4CCCNCC4)NC(=O)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)C(=O)N2CCCN(CC2)C3=C(C=C(C=C3)C(=O)N4CCCNCC4)NC(=O)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C31H40N6O5/c38-29(23-8-11-26(12-9-23)37(41)42)33-27-22-25(31(40)35-16-4-14-32-15-19-35)10-13-28(27)34-17-5-18-36(21-20-34)30(39)24-6-2-1-3-7-24/h8-13,22,24,32H,1-7,14-21H2,(H,33,38)