5-(6-bromanyl-1,3-benzodioxol-5-yl)-2,2-dimethyl-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one

Systemtic Name: 5-(6-bromanyl-1,3-benzodioxol-5-yl)-2,2-dimethyl-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one Openeye Name: 5-(6-bromo-1,3-benzodioxol-5-yl)-2,2-dimethyl-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one CAS Name: 5-(6-bromo-1,3-benzodioxol-5-yl)-2,2-dimethyl-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one IUPAC Name: 5-(6-bromo-1,3-benzodioxol-5-yl)-2,2-dimethyl-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one Traditional Name: 5-(6-bromo-1,3-benzodioxol-5-yl)-2,2-dimethyl-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one Formula: C26H22BrNO3 MolecularWeight: 476.36178

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(NC3=C2C4=CC=CC=C4C=C3)C5=CC6=C(C=C5Br)OCO6)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C(C(NC3=C2C4=CC=CC=C4C=C3)C5=CC6=C(C=C5Br)OCO6)C(=O)C1)C

InChI

InChI=1S/C26H22BrNO3/c1-26(2)11-17-23-15-6-4-3-5-14(15)7-8-19(23)28-25(24(17)20(29)12-26)16-9-21-22(10-18(16)27)31-13-30-21/h3-10,25,28H,11-13H2,1-2H3