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

Systemtic Name: N-[5-[(4-azanylcyclohexyl)carbamoyl]-2-(4-cyclohexylcarbonyl-1,4-diazepan-1-yl)phenyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[5-[(4-aminocyclohexyl)carbamoyl]-2-[4-(cyclohexanecarbonyl)-1,4-diazepan-1-yl]phenyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[5-[[(4-aminocyclohexyl)amino]-oxomethyl]-2-[4-[cyclohexyl(oxo)methyl]-1,4-diazepan-1-yl]phenyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[5-[(4-aminocyclohexyl)carbamoyl]-2-[4-(cyclohexanecarbonyl)-1,4-diazepan-1-yl]phenyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[5-[(4-aminocyclohexyl)carbamoyl]-2-[4-(cyclohexanecarbonyl)-1,4-diazepan-1-yl]phenyl]-piperonylamide Formula: C33H43N5O5 MolecularWeight: 589.72502

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)N2CCCN(CC2)C3=C(C=C(C=C3)C(=O)NC4CCC(CC4)N)NC(=O)C5=CC6=C(C=C5)OCO6

Isomeric SMILES

C1CCC(CC1)C(=O)N2CCCN(CC2)C3=C(C=C(C=C3)C(=O)NC4CCC(CC4)N)NC(=O)C5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C33H43N5O5/c34-25-9-11-26(12-10-25)35-31(39)23-7-13-28(27(19-23)36-32(40)24-8-14-29-30(20-24)43-21-42-29)37-15-4-16-38(18-17-37)33(41)22-5-2-1-3-6-22/h7-8,13-14,19-20,22,25-26H,1-6,9-12,15-18,21,34H2,(H,35,39)(H,36,40)