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

Systemtic Name: N-[2-(4-cyclohexylcarbonylpiperazin-1-yl)-5-(1,4-diazepan-1-ylcarbonyl)phenyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-5-(1,4-diazepane-1-carbonyl)phenyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[2-[4-[cyclohexyl(oxo)methyl]-1-piperazinyl]-5-[1,4-diazepan-1-yl(oxo)methyl]phenyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-5-(1,4-diazepane-1-carbonyl)phenyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[2-[4-(cyclohexanecarbonyl)piperazino]-5-(1,4-diazepane-1-carbonyl)phenyl]-piperonylamide Formula: C31H39N5O5 MolecularWeight: 561.67186

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)N4CCCNCC4)NC(=O)C5=CC6=C(C=C5)OCO6

Isomeric SMILES

C1CCC(CC1)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)N4CCCNCC4)NC(=O)C5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C31H39N5O5/c37-29(23-8-10-27-28(20-23)41-21-40-27)33-25-19-24(31(39)35-13-4-11-32-12-14-35)7-9-26(25)34-15-17-36(18-16-34)30(38)22-5-2-1-3-6-22/h7-10,19-20,22,32H,1-6,11-18,21H2,(H,33,37)