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

Systemtic Name: N-[5-(1,4-diazepan-1-ylcarbonyl)-2-(4-pyridin-4-ylcarbonylpiperazin-1-yl)phenyl]-4-nitro-benzamide Openeye Name: N-[5-(1,4-diazepane-1-carbonyl)-2-[4-(pyridine-4-carbonyl)piperazin-1-yl]phenyl]-4-nitro-benzamide CAS Name: N-[5-[1,4-diazepan-1-yl(oxo)methyl]-2-[4-[oxo(pyridin-4-yl)methyl]-1-piperazinyl]phenyl]-4-nitrobenzamide IUPAC Name: N-[5-(1,4-diazepane-1-carbonyl)-2-[4-(pyridine-4-carbonyl)piperazin-1-yl]phenyl]-4-nitrobenzamide Traditional Name: N-[5-(1,4-diazepane-1-carbonyl)-2-(4-isonicotinoylpiperazino)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=CC=NC=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=NC=C4)NC(=O)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C29H31N7O5/c37-27(21-2-5-24(6-3-21)36(40)41)32-25-20-23(29(39)34-14-1-10-30-13-15-34)4-7-26(25)33-16-18-35(19-17-33)28(38)22-8-11-31-12-9-22/h2-9,11-12,20,30H,1,10,13-19H2,(H,32,37)