N-[2-[(3,4-dimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]-2-nitro-benzamide

Systemtic Name: N-[2-[(3,4-dimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]-2-nitro-benzamide Openeye Name: N-[2-[(3,4-dimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]-2-nitro-benzamide CAS Name: N-[2-[(3,4-dimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]-2-nitrobenzamide IUPAC Name: N-[2-[(3,4-dimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]-2-nitrobenzamide Traditional Name: 2-nitro-N-(2-veratryl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide Formula: C25H25N3O5 MolecularWeight: 447.4831

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2CCC3=C(C2)C=C(C=C3)NC(=O)C4=CC=CC=C4[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CCC3=C(C2)C=C(C=C3)NC(=O)C4=CC=CC=C4[N+](=O)[O-])OC

InChI

InChI=1S/C25H25N3O5/c1-32-23-10-7-17(13-24(23)33-2)15-27-12-11-18-8-9-20(14-19(18)16-27)26-25(29)21-5-3-4-6-22(21)28(30)31/h3-10,13-14H,11-12,15-16H2,1-2H3,(H,26,29)