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

Systemtic Name: N-[2-(4-cyclobutylcarbonyl-1,4-diazepan-1-yl)-5-(1,4-diazepan-1-ylcarbonyl)phenyl]-4-nitro-benzamide Openeye Name: N-[2-[4-(cyclobutanecarbonyl)-1,4-diazepan-1-yl]-5-(1,4-diazepane-1-carbonyl)phenyl]-4-nitro-benzamide CAS Name: N-[2-[4-[cyclobutyl(oxo)methyl]-1,4-diazepan-1-yl]-5-[1,4-diazepan-1-yl(oxo)methyl]phenyl]-4-nitrobenzamide IUPAC Name: N-[2-[4-(cyclobutanecarbonyl)-1,4-diazepan-1-yl]-5-(1,4-diazepane-1-carbonyl)phenyl]-4-nitrobenzamide Traditional Name: N-[2-[4-(cyclobutanecarbonyl)-1,4-diazepan-1-yl]-5-(1,4-diazepane-1-carbonyl)phenyl]-4-nitro-benzamide Formula: C29H36N6O5 MolecularWeight: 548.63334

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)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

C1CC(C1)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/C29H36N6O5/c36-27(21-6-9-24(10-7-21)35(39)40)31-25-20-23(29(38)33-14-2-12-30-13-17-33)8-11-26(25)32-15-3-16-34(19-18-32)28(37)22-4-1-5-22/h6-11,20,22,30H,1-5,12-19H2,(H,31,36)