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6-(4-bromophenyl)-2,3,4,12,13-pentamethoxy-7,9,10,14b-tetrahydroisoquinolino[2,1-d][1,4]benzodiazepine

6-(4-bromophenyl)-2,3,4,12,13-pentamethoxy-7,9,10,14b-tetrahydroisoquinolino[2,1-d][1,4]benzodiazepine

Systemtic Name:6-(4-bromophenyl)-2,3,4,12,13-pentamethoxy-7,9,10,14b-tetrahydroisoquinolino[2,1-d][1,4]benzodiazepine
Openeye Name:6-(4-bromophenyl)-2,3,4,12,13-pentamethoxy-7,9,10,14b-tetrahydroisoquinolino[2,1-d][1,4]benzodiazepine
CAS Name:6-(4-bromophenyl)-2,3,4,12,13-pentamethoxy-7,9,10,14b-tetrahydroisoquinolino[2,1-d][1,4]benzodiazepine
IUPAC Name:6-(4-bromophenyl)-2,3,4,12,13-pentamethoxy-7,9,10,14b-tetrahydroisoquinolino[2,1-d][1,4]benzodiazepine
Traditional Name:6-(4-bromophenyl)-2,3,4,12,13-pentamethoxy-7,9,10,14b-tetrahydroisoquinolino[2,1-d][1,4]benzodiazepine
Formula: C28H29BrN2O5
MolecularWeight: 553.44426
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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C3C4=CC(=C(C(=C4N=C(CN3CCC2=C1)C5=CC=C(C=C5)Br)OC)OC)OC)OC


Isomeric SMILES

COC1=C(C=C2C3C4=CC(=C(C(=C4N=C(CN3CCC2=C1)C5=CC=C(C=C5)Br)OC)OC)OC)OC


InChI

InChI=1S/C28H29BrN2O5/c1-32-22-12-17-10-11-31-15-21(16-6-8-18(29)9-7-16)30-25-20(26(31)19(17)13-23(22)33-2)14-24(34-3)27(35-4)28(25)36-5/h6-9,12-14,26H,10-11,15H2,1-5H3


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