N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyrrolidin-1-ylcarbonyl-phenyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyrrolidin-1-ylcarbonyl-phenyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(pyrrolidine-1-carbonyl)phenyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[oxo(1-pyrrolidinyl)methyl]phenyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(pyrrolidine-1-carbonyl)phenyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(pyrrolidine-1-carbonyl)phenyl]-piperonylamide Formula: C28H27N3O4 MolecularWeight: 469.53168

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=C(C=CC(=C2)NC(=O)C3=CC4=C(C=C3)OCO4)N5CCC6=CC=CC=C6C5

Isomeric SMILES

C1CCN(C1)C(=O)C2=C(C=CC(=C2)NC(=O)C3=CC4=C(C=C3)OCO4)N5CCC6=CC=CC=C6C5

InChI

InChI=1S/C28H27N3O4/c32-27(20-7-10-25-26(15-20)35-18-34-25)29-22-8-9-24(23(16-22)28(33)30-12-3-4-13-30)31-14-11-19-5-1-2-6-21(19)17-31/h1-2,5-10,15-16H,3-4,11-14,17-18H2,(H,29,32)