6,7-diethoxy-2-[(6-nitroindazol-1-yl)methyl]-3,4-dihydro-1H-isoquinoline

Systemtic Name: 6,7-diethoxy-2-[(6-nitroindazol-1-yl)methyl]-3,4-dihydro-1H-isoquinoline Openeye Name: 6,7-diethoxy-2-[(6-nitroindazol-1-yl)methyl]-3,4-dihydro-1H-isoquinoline CAS Name: 6,7-diethoxy-2-[(6-nitro-1-indazolyl)methyl]-3,4-dihydro-1H-isoquinoline IUPAC Name: 6,7-diethoxy-2-[(6-nitroindazol-1-yl)methyl]-3,4-dihydro-1H-isoquinoline Traditional Name: 6,7-diethoxy-2-[(6-nitroindazol-1-yl)methyl]-3,4-dihydro-1H-isoquinoline Formula: C21H24N4O4 MolecularWeight: 396.43966

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2CN(CCC2=C1)CN3C4=C(C=CC(=C4)[N+](=O)[O-])C=N3)OCC

Isomeric SMILES

CCOC1=C(C=C2CN(CCC2=C1)CN3C4=C(C=CC(=C4)[N+](=O)[O-])C=N3)OCC

InChI

InChI=1S/C21H24N4O4/c1-3-28-20-9-15-7-8-23(13-17(15)10-21(20)29-4-2)14-24-19-11-18(25(26)27)6-5-16(19)12-22-24/h5-6,9-12H,3-4,7-8,13-14H2,1-2H3