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

Systemtic Name: N-[5-(1,4-diazepan-1-ylcarbonyl)-2-(4-morpholin-4-ylcarbonylpiperazin-1-yl)phenyl]-4-nitro-benzamide Openeye Name: N-[5-(1,4-diazepane-1-carbonyl)-2-[4-(morpholine-4-carbonyl)piperazin-1-yl]phenyl]-4-nitro-benzamide CAS Name: N-[5-[1,4-diazepan-1-yl(oxo)methyl]-2-[4-[4-morpholinyl(oxo)methyl]-1-piperazinyl]phenyl]-4-nitrobenzamide IUPAC Name: N-[5-(1,4-diazepane-1-carbonyl)-2-[4-(morpholine-4-carbonyl)piperazin-1-yl]phenyl]-4-nitrobenzamide Traditional Name: N-[5-(1,4-diazepane-1-carbonyl)-2-[4-(morpholine-4-carbonyl)piperazino]phenyl]-4-nitro-benzamide Formula: C28H35N7O6 MolecularWeight: 565.6208

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)N4CCOCC4)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)N4CCOCC4)NC(=O)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C28H35N7O6/c36-26(21-2-5-23(6-3-21)35(39)40)30-24-20-22(27(37)32-10-1-8-29-9-11-32)4-7-25(24)31-12-14-33(15-13-31)28(38)34-16-18-41-19-17-34/h2-7,20,29H,1,8-19H2,(H,30,36)