N-[5-[[4-[(4-azanylcyclohexyl)methyl]cyclohexyl]carbamoyl]-2-methoxy-phenyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[5-[[4-[(4-azanylcyclohexyl)methyl]cyclohexyl]carbamoyl]-2-methoxy-phenyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[5-[[4-[(4-aminocyclohexyl)methyl]cyclohexyl]carbamoyl]-2-methoxy-phenyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[5-[[[4-[(4-aminocyclohexyl)methyl]cyclohexyl]amino]-oxomethyl]-2-methoxyphenyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[5-[[4-[(4-aminocyclohexyl)methyl]cyclohexyl]carbamoyl]-2-methoxyphenyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[5-[[4-[(4-aminocyclohexyl)methyl]cyclohexyl]carbamoyl]-2-methoxy-phenyl]-piperonylamide Formula: C29H37N3O5 MolecularWeight: 507.62118

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2CCC(CC2)CC3CCC(CC3)N)NC(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2CCC(CC2)CC3CCC(CC3)N)NC(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C29H37N3O5/c1-35-25-12-6-20(15-24(25)32-29(34)21-7-13-26-27(16-21)37-17-36-26)28(33)31-23-10-4-19(5-11-23)14-18-2-8-22(30)9-3-18/h6-7,12-13,15-16,18-19,22-23H,2-5,8-11,14,17,30H2,1H3,(H,31,33)(H,32,34)