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

Systemtic Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]-6-nitro-1,3-benzodioxole-5-carboxamide Openeye Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]-6-nitro-1,3-benzodioxole-5-carboxamide CAS Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]-6-nitro-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]-6-nitro-1,3-benzodioxole-5-carboxamide Traditional Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]-6-nitro-piperonylamide Formula: C23H19N3O5 MolecularWeight: 417.41406

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C3=CC=CC=C3NC(=O)C4=CC5=C(C=C4[N+](=O)[O-])OCO5

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C3=CC=CC=C3NC(=O)C4=CC5=C(C=C4[N+](=O)[O-])OCO5

InChI

InChI=1S/C23H19N3O5/c27-23(17-11-21-22(31-14-30-21)12-20(17)26(28)29)24-18-7-3-4-8-19(18)25-10-9-15-5-1-2-6-16(15)13-25/h1-8,11-12H,9-10,13-14H2,(H,24,27)