N-[5-(1,4-diazepan-1-ylcarbonyl)-2-(4-morpholin-4-ylcarbonylpiperazin-1-yl)phenyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[5-(1,4-diazepan-1-ylcarbonyl)-2-(4-morpholin-4-ylcarbonylpiperazin-1-yl)phenyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[5-(1,4-diazepane-1-carbonyl)-2-[4-(morpholine-4-carbonyl)piperazin-1-yl]phenyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[5-[1,4-diazepan-1-yl(oxo)methyl]-2-[4-[4-morpholinyl(oxo)methyl]-1-piperazinyl]phenyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[5-(1,4-diazepane-1-carbonyl)-2-[4-(morpholine-4-carbonyl)piperazin-1-yl]phenyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[5-(1,4-diazepane-1-carbonyl)-2-[4-(morpholine-4-carbonyl)piperazino]phenyl]-piperonylamide Formula: C29H36N6O6 MolecularWeight: 564.63274

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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=CC6=C(C=C5)OCO6

Isomeric SMILES

C1CNCCN(C1)C(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)N4CCOCC4)NC(=O)C5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C29H36N6O6/c36-27(21-3-5-25-26(19-21)41-20-40-25)31-23-18-22(28(37)33-8-1-6-30-7-9-33)2-4-24(23)32-10-12-34(13-11-32)29(38)35-14-16-39-17-15-35/h2-5,18-19,30H,1,6-17,20H2,(H,31,36)