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

Systemtic Name: N-[5-[(4-azanylcyclohexyl)carbamoyl]-2-(4-cyclopropylcarbonylpiperazin-1-yl)phenyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[5-[(4-aminocyclohexyl)carbamoyl]-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]phenyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[5-[[(4-aminocyclohexyl)amino]-oxomethyl]-2-[4-[cyclopropyl(oxo)methyl]-1-piperazinyl]phenyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[5-[(4-aminocyclohexyl)carbamoyl]-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]phenyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[5-[(4-aminocyclohexyl)carbamoyl]-2-[4-(cyclopropanecarbonyl)piperazino]phenyl]-piperonylamide Formula: C29H35N5O5 MolecularWeight: 533.6187

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)NC4CCC(CC4)N)NC(=O)C5=CC6=C(C=C5)OCO6

Isomeric SMILES

C1CC1C(=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/C29H35N5O5/c30-21-5-7-22(8-6-21)31-27(35)19-3-9-24(33-11-13-34(14-12-33)29(37)18-1-2-18)23(15-19)32-28(36)20-4-10-25-26(16-20)39-17-38-25/h3-4,9-10,15-16,18,21-22H,1-2,5-8,11-14,17,30H2,(H,31,35)(H,32,36)