5-(5-bromanyl-2-oxidanyl-phenyl)-2,3,5,6-tetrahydro-1H-benzo[a]phenanthridin-4-one

Systemtic Name: 5-(5-bromanyl-2-oxidanyl-phenyl)-2,3,5,6-tetrahydro-1H-benzo[a]phenanthridin-4-one Openeye Name: 5-(5-bromo-2-hydroxy-phenyl)-2,3,5,6-tetrahydro-1H-benzo[a]phenanthridin-4-one CAS Name: 5-(5-bromo-2-hydroxyphenyl)-2,3,5,6-tetrahydro-1H-benzo[a]phenanthridin-4-one IUPAC Name: 5-(5-bromo-2-hydroxyphenyl)-2,3,5,6-tetrahydro-1H-benzo[a]phenanthridin-4-one Traditional Name: 5-(5-bromo-2-hydroxy-phenyl)-2,3,5,6-tetrahydro-1H-benzo[a]phenanthridin-4-one Formula: C23H18BrNO2 MolecularWeight: 420.29852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(NC3=C2C4=CC=CC=C4C=C3)C5=C(C=CC(=C5)Br)O)C(=O)C1

Isomeric SMILES

C1CC2=C(C(NC3=C2C4=CC=CC=C4C=C3)C5=C(C=CC(=C5)Br)O)C(=O)C1

InChI

InChI=1S/C23H18BrNO2/c24-14-9-11-19(26)17(12-14)23-22-16(6-3-7-20(22)27)21-15-5-2-1-4-13(15)8-10-18(21)25-23/h1-2,4-5,8-12,23,25-26H,3,6-7H2