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

Systemtic Name: N-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]-4-methoxy-3-nitro-benzamide Openeye Name: N-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]-4-methoxy-3-nitro-benzamide CAS Name: N-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]-4-methoxy-3-nitrobenzamide IUPAC Name: N-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]-4-methoxy-3-nitrobenzamide Traditional Name: N-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]-4-methoxy-3-nitro-benzamide Formula: C27H29N3O6 MolecularWeight: 491.53566

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)CCN3CCC4=CC(=C(C=C4C3)OC)OC)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)CCN3CCC4=CC(=C(C=C4C3)OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C27H29N3O6/c1-34-24-9-6-20(14-23(24)30(32)33)27(31)28-22-7-4-18(5-8-22)10-12-29-13-11-19-15-25(35-2)26(36-3)16-21(19)17-29/h4-9,14-16H,10-13,17H2,1-3H3,(H,28,31)