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

Systemtic Name: N-[5-(1,4-diazepan-1-ylcarbonyl)-2-[4-(phenylcarbonyl)piperazin-1-yl]phenyl]-4-nitro-benzamide Openeye Name: N-[2-(4-benzoylpiperazin-1-yl)-5-(1,4-diazepane-1-carbonyl)phenyl]-4-nitro-benzamide CAS Name: N-[2-(4-benzoyl-1-piperazinyl)-5-[1,4-diazepan-1-yl(oxo)methyl]phenyl]-4-nitrobenzamide IUPAC Name: N-[2-(4-benzoylpiperazin-1-yl)-5-(1,4-diazepane-1-carbonyl)phenyl]-4-nitrobenzamide Traditional Name: N-[2-(4-benzoylpiperazino)-5-(1,4-diazepane-1-carbonyl)phenyl]-4-nitro-benzamide Formula: C30H32N6O5 MolecularWeight: 556.61228

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)C4=CC=CC=C4)NC(=O)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1CNCCN(C1)C(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)C4=CC=CC=C4)NC(=O)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C30H32N6O5/c37-28(22-7-10-25(11-8-22)36(40)41)32-26-21-24(30(39)34-15-4-13-31-14-16-34)9-12-27(26)33-17-19-35(20-18-33)29(38)23-5-2-1-3-6-23/h1-3,5-12,21,31H,4,13-20H2,(H,32,37)