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

Systemtic Name: N-[2-(4-cyclobutylcarbonylpiperazin-1-yl)-5-(1,4-diazepan-1-ylcarbonyl)phenyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]-5-(1,4-diazepane-1-carbonyl)phenyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[2-[4-[cyclobutyl(oxo)methyl]-1-piperazinyl]-5-[1,4-diazepan-1-yl(oxo)methyl]phenyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]-5-(1,4-diazepane-1-carbonyl)phenyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[2-[4-(cyclobutanecarbonyl)piperazino]-5-(1,4-diazepane-1-carbonyl)phenyl]-piperonylamide Formula: C29H35N5O5 MolecularWeight: 533.6187

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)N4CCCNCC4)NC(=O)C5=CC6=C(C=C5)OCO6

Isomeric SMILES

C1CC(C1)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)N4CCCNCC4)NC(=O)C5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C29H35N5O5/c35-27(21-6-8-25-26(18-21)39-19-38-25)31-23-17-22(29(37)33-11-2-9-30-10-12-33)5-7-24(23)32-13-15-34(16-14-32)28(36)20-3-1-4-20/h5-8,17-18,20,30H,1-4,9-16,19H2,(H,31,35)