N-(4-iodophenyl)-6,7-dimethoxy-spiro[4H-isoquinoline-3,1'-cyclopentane]-1-amine

Systemtic Name: N-(4-iodophenyl)-6,7-dimethoxy-spiro[4H-isoquinoline-3,1'-cyclopentane]-1-amine Openeye Name: N-(4-iodophenyl)-6,7-dimethoxy-spiro[4H-isoquinoline-3,1'-cyclopentane]-1-amine CAS Name: N-(4-iodophenyl)-6,7-dimethoxy-1-spiro[4H-isoquinoline-3,1'-cyclopentane]amine IUPAC Name: N-(4-iodophenyl)-6,7-dimethoxyspiro[4H-isoquinoline-3,1'-cyclopentane]-1-amine Traditional Name: (6,7-dimethoxyspiro[4H-isoquinoline-3,1'-cyclopentane]-1-yl)-(4-iodophenyl)amine Formula: C21H23IN2O2 MolecularWeight: 462.32399

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)CC3(CCCC3)N=C2NC4=CC=C(C=C4)I)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)CC3(CCCC3)N=C2NC4=CC=C(C=C4)I)OC

InChI

InChI=1S/C21H23IN2O2/c1-25-18-11-14-13-21(9-3-4-10-21)24-20(17(14)12-19(18)26-2)23-16-7-5-15(22)6-8-16/h5-8,11-12H,3-4,9-10,13H2,1-2H3,(H,23,24)