N-[5-(1,4-diazepan-1-ylcarbonyl)-2-(4-pyridin-3-ylcarbonylpiperazin-1-yl)phenyl]-4-nitro-benzamide

Systemtic Name: N-[5-(1,4-diazepan-1-ylcarbonyl)-2-(4-pyridin-3-ylcarbonylpiperazin-1-yl)phenyl]-4-nitro-benzamide Openeye Name: N-[5-(1,4-diazepane-1-carbonyl)-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]phenyl]-4-nitro-benzamide CAS Name: N-[5-[1,4-diazepan-1-yl(oxo)methyl]-2-[4-[oxo(3-pyridinyl)methyl]-1-piperazinyl]phenyl]-4-nitrobenzamide IUPAC Name: N-[5-(1,4-diazepane-1-carbonyl)-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]phenyl]-4-nitrobenzamide Traditional Name: N-[5-(1,4-diazepane-1-carbonyl)-2-(4-nicotinoylpiperazino)phenyl]-4-nitro-benzamide Formula: C29H31N7O5 MolecularWeight: 557.60034

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C29H31N7O5/c37-27(21-4-7-24(8-5-21)36(40)41)32-25-19-22(28(38)34-13-2-11-30-12-14-34)6-9-26(25)33-15-17-35(18-16-33)29(39)23-3-1-10-31-20-23/h1,3-10,19-20,30H,2,11-18H2,(H,32,37)