N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-dimethylaminophenyl)ethyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-dimethylaminophenyl)ethyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-dimethylaminophenyl)ethyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-dimethylaminophenyl)ethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-dimethylaminophenyl)ethyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-dimethylaminophenyl)ethyl]-piperonylamide Formula: C27H29N3O3 MolecularWeight: 443.53746

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C(CNC(=O)C2=CC3=C(C=C2)OCO3)N4CCC5=CC=CC=C5C4

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C(CNC(=O)C2=CC3=C(C=C2)OCO3)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C27H29N3O3/c1-29(2)23-10-7-20(8-11-23)24(30-14-13-19-5-3-4-6-22(19)17-30)16-28-27(31)21-9-12-25-26(15-21)33-18-32-25/h3-12,15,24H,13-14,16-18H2,1-2H3,(H,28,31)