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

Systemtic Name: N-[5-[(4-azanylcyclohexyl)carbamoyl]-2-(4-cyclopentylcarbonylpiperazin-1-yl)phenyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[5-[(4-aminocyclohexyl)carbamoyl]-2-[4-(cyclopentanecarbonyl)piperazin-1-yl]phenyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[5-[[(4-aminocyclohexyl)amino]-oxomethyl]-2-[4-[cyclopentyl(oxo)methyl]-1-piperazinyl]phenyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[5-[(4-aminocyclohexyl)carbamoyl]-2-[4-(cyclopentanecarbonyl)piperazin-1-yl]phenyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[5-[(4-aminocyclohexyl)carbamoyl]-2-[4-(cyclopentanecarbonyl)piperazino]phenyl]-piperonylamide Formula: C31H39N5O5 MolecularWeight: 561.67186

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)NC4CCC(CC4)N)NC(=O)C5=CC6=C(C=C5)OCO6

Isomeric SMILES

C1CCC(C1)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)NC4CCC(CC4)N)NC(=O)C5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C31H39N5O5/c32-23-7-9-24(10-8-23)33-29(37)21-5-11-26(35-13-15-36(16-14-35)31(39)20-3-1-2-4-20)25(17-21)34-30(38)22-6-12-27-28(18-22)41-19-40-27/h5-6,11-12,17-18,20,23-24H,1-4,7-10,13-16,19,32H2,(H,33,37)(H,34,38)