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

Systemtic Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-methoxypropylcarbamoyl)phenyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-methoxypropylcarbamoyl)phenyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[(3-methoxypropylamino)-oxomethyl]phenyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-methoxypropylcarbamoyl)phenyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-methoxypropylcarbamoyl)phenyl]-piperonylamide Formula: C28H29N3O5 MolecularWeight: 487.54696

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Descriptors Computed from Structure

Canonical SMILES:

COCCCNC(=O)C1=C(C=CC(=C1)NC(=O)C2=CC3=C(C=C2)OCO3)N4CCC5=CC=CC=C5C4

Isomeric SMILES

COCCCNC(=O)C1=C(C=CC(=C1)NC(=O)C2=CC3=C(C=C2)OCO3)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C28H29N3O5/c1-34-14-4-12-29-28(33)23-16-22(30-27(32)20-7-10-25-26(15-20)36-18-35-25)8-9-24(23)31-13-11-19-5-2-3-6-21(19)17-31/h2-3,5-10,15-16H,4,11-14,17-18H2,1H3,(H,29,33)(H,30,32)