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

Systemtic Name: 5-(5-bromanyl-2-oxidanyl-phenyl)-2,2-dimethyl-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one Openeye Name: 5-(5-bromo-2-hydroxy-phenyl)-2,2-dimethyl-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one CAS Name: 5-(5-bromo-2-hydroxyphenyl)-2,2-dimethyl-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one IUPAC Name: 5-(5-bromo-2-hydroxyphenyl)-2,2-dimethyl-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one Traditional Name: 5-(5-bromo-2-hydroxy-phenyl)-2,2-dimethyl-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one Formula: C25H22BrNO2 MolecularWeight: 448.35168

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(NC3=C2C4=CC=CC=C4C=C3)C5=C(C=CC(=C5)Br)O)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C(C(NC3=C2C4=CC=CC=C4C=C3)C5=C(C=CC(=C5)Br)O)C(=O)C1)C

InChI

InChI=1S/C25H22BrNO2/c1-25(2)12-18-22-16-6-4-3-5-14(16)7-9-19(22)27-24(23(18)21(29)13-25)17-11-15(26)8-10-20(17)28/h3-11,24,27-28H,12-13H2,1-2H3