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

Systemtic Name: 5-(5-bromanyl-2-prop-2-enoxy-phenyl)-2,2-dimethyl-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one Openeye Name: 5-(2-allyloxy-5-bromo-phenyl)-2,2-dimethyl-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one CAS Name: 5-(5-bromo-2-prop-2-enoxyphenyl)-2,2-dimethyl-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one IUPAC Name: 5-(5-bromo-2-prop-2-enoxyphenyl)-2,2-dimethyl-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one Traditional Name: 5-(2-allyloxy-5-bromo-phenyl)-2,2-dimethyl-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one Formula: C28H26BrNO2 MolecularWeight: 488.41554

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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)OCC=C)C(=O)C1)C

Isomeric SMILES

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

InChI

InChI=1S/C28H26BrNO2/c1-4-13-32-24-12-10-18(29)14-20(24)27-26-21(15-28(2,3)16-23(26)31)25-19-8-6-5-7-17(19)9-11-22(25)30-27/h4-12,14,27,30H,1,13,15-16H2,2-3H3