1-[(4-bromophenyl)methyl]-6,7-dimethoxy-isoquinoline

Systemtic Name: 1-[(4-bromophenyl)methyl]-6,7-dimethoxy-isoquinoline Openeye Name: 1-[(4-bromophenyl)methyl]-6,7-dimethoxy-isoquinoline CAS Name: 1-[(4-bromophenyl)methyl]-6,7-dimethoxyisoquinoline IUPAC Name: 1-[(4-bromophenyl)methyl]-6,7-dimethoxyisoquinoline Traditional Name: 1-(4-bromobenzyl)-6,7-dimethoxy-isoquinoline Formula: C18H16BrNO2 MolecularWeight: 358.22914

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C=CN=C2CC3=CC=C(C=C3)Br)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C=CN=C2CC3=CC=C(C=C3)Br)OC

InChI

InChI=1S/C18H16BrNO2/c1-21-17-10-13-7-8-20-16(15(13)11-18(17)22-2)9-12-3-5-14(19)6-4-12/h3-8,10-11H,9H2,1-2H3