N-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]-6-nitro-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]-6-nitro-1,3-benzodioxole-5-carboxamide Openeye Name: N-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]-6-nitro-1,3-benzodioxole-5-carboxamide CAS Name: N-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]-6-nitro-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]-6-nitro-1,3-benzodioxole-5-carboxamide Traditional Name: N-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]-6-nitro-piperonylamide Formula: C27H27N3O7 MolecularWeight: 505.51918

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)CCC3=CC=C(C=C3)NC(=O)C4=CC5=C(C=C4[N+](=O)[O-])OCO5)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)CCC3=CC=C(C=C3)NC(=O)C4=CC5=C(C=C4[N+](=O)[O-])OCO5)OC

InChI

InChI=1S/C27H27N3O7/c1-34-23-11-18-8-10-29(15-19(18)12-24(23)35-2)9-7-17-3-5-20(6-4-17)28-27(31)21-13-25-26(37-16-36-25)14-22(21)30(32)33/h3-6,11-14H,7-10,15-16H2,1-2H3,(H,28,31)