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

Systemtic Name: N-[2-(4-cyclohexylcarbonyl-1,4-diazepan-1-yl)-5-(1,4-diazepan-1-ylcarbonyl)phenyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[2-[4-(cyclohexanecarbonyl)-1,4-diazepan-1-yl]-5-(1,4-diazepane-1-carbonyl)phenyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[2-[4-[cyclohexyl(oxo)methyl]-1,4-diazepan-1-yl]-5-[1,4-diazepan-1-yl(oxo)methyl]phenyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[2-[4-(cyclohexanecarbonyl)-1,4-diazepan-1-yl]-5-(1,4-diazepane-1-carbonyl)phenyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[2-[4-(cyclohexanecarbonyl)-1,4-diazepan-1-yl]-5-(1,4-diazepane-1-carbonyl)phenyl]-piperonylamide Formula: C32H41N5O5 MolecularWeight: 575.69844

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)N2CCCN(CC2)C3=C(C=C(C=C3)C(=O)N4CCCNCC4)NC(=O)C5=CC6=C(C=C5)OCO6

Isomeric SMILES

C1CCC(CC1)C(=O)N2CCCN(CC2)C3=C(C=C(C=C3)C(=O)N4CCCNCC4)NC(=O)C5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C32H41N5O5/c38-30(24-9-11-28-29(21-24)42-22-41-28)34-26-20-25(32(40)36-14-4-12-33-13-17-36)8-10-27(26)35-15-5-16-37(19-18-35)31(39)23-6-2-1-3-7-23/h8-11,20-21,23,33H,1-7,12-19,22H2,(H,34,38)