(4-bromophenyl)-(7-methyl-2,3,4,7,9,10-hexahydro-[1,4]dioxepino[2,3-g]isoquinolin-8-yl)methanone

Systemtic Name: (4-bromophenyl)-(7-methyl-2,3,4,7,9,10-hexahydro-[1,4]dioxepino[2,3-g]isoquinolin-8-yl)methanone Openeye Name: (4-bromophenyl)-(7-methyl-2,3,4,7,9,10-hexahydro-[1,4]dioxepino[2,3-g]isoquinolin-8-yl)methanone CAS Name: (4-bromophenyl)-(7-methyl-2,3,4,7,9,10-hexahydro-[1,4]dioxepino[2,3-g]isoquinolin-8-yl)methanone IUPAC Name: (4-bromophenyl)-(7-methyl-2,3,4,7,9,10-hexahydro-[1,4]dioxepino[2,3-g]isoquinolin-8-yl)methanone Traditional Name: (4-bromophenyl)-(7-methyl-2,3,4,7,9,10-hexahydro-[1,4]dioxepin[2,3-g]isoquinolin-8-yl)methanone Formula: C20H20BrNO3 MolecularWeight: 402.2817

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=CC3=C(C=C2CCN1C(=O)C4=CC=C(C=C4)Br)OCCCO3

Isomeric SMILES

CC1C2=CC3=C(C=C2CCN1C(=O)C4=CC=C(C=C4)Br)OCCCO3

InChI

InChI=1S/C20H20BrNO3/c1-13-17-12-19-18(24-9-2-10-25-19)11-15(17)7-8-22(13)20(23)14-3-5-16(21)6-4-14/h3-6,11-13H,2,7-10H2,1H3