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

Systemtic Name: N-[2-(4-cyclobutylcarbonylpiperazin-1-yl)-5-(1,4-diazepan-1-ylcarbonyl)phenyl]-4-nitro-benzamide Openeye Name: N-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]-5-(1,4-diazepane-1-carbonyl)phenyl]-4-nitro-benzamide CAS Name: N-[2-[4-[cyclobutyl(oxo)methyl]-1-piperazinyl]-5-[1,4-diazepan-1-yl(oxo)methyl]phenyl]-4-nitrobenzamide IUPAC Name: N-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]-5-(1,4-diazepane-1-carbonyl)phenyl]-4-nitrobenzamide Traditional Name: N-[2-[4-(cyclobutanecarbonyl)piperazino]-5-(1,4-diazepane-1-carbonyl)phenyl]-4-nitro-benzamide Formula: C28H34N6O5 MolecularWeight: 534.60676

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)C(=O)N2CCN(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)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)N4CCCNCC4)NC(=O)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C28H34N6O5/c35-26(20-5-8-23(9-6-20)34(38)39)30-24-19-22(28(37)32-13-2-11-29-12-14-32)7-10-25(24)31-15-17-33(18-16-31)27(36)21-3-1-4-21/h5-10,19,21,29H,1-4,11-18H2,(H,30,35)