5-(4-bromophenyl)-2-(4-butoxyphenyl)-2,3,5,6-tetrahydro-1H-benzo[a]phenanthridin-4-one

Systemtic Name: 5-(4-bromophenyl)-2-(4-butoxyphenyl)-2,3,5,6-tetrahydro-1H-benzo[a]phenanthridin-4-one Openeye Name: 5-(4-bromophenyl)-2-(4-butoxyphenyl)-2,3,5,6-tetrahydro-1H-benzo[a]phenanthridin-4-one CAS Name: 5-(4-bromophenyl)-2-(4-butoxyphenyl)-2,3,5,6-tetrahydro-1H-benzo[a]phenanthridin-4-one IUPAC Name: 5-(4-bromophenyl)-2-(4-butoxyphenyl)-2,3,5,6-tetrahydro-1H-benzo[a]phenanthridin-4-one Traditional Name: 5-(4-bromophenyl)-2-(4-butoxyphenyl)-2,3,5,6-tetrahydro-1H-benzo[a]phenanthridin-4-one Formula: C33H30BrNO2 MolecularWeight: 552.5008

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2CC3=C(C(NC4=C3C5=CC=CC=C5C=C4)C6=CC=C(C=C6)Br)C(=O)C2

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2CC3=C(C(NC4=C3C5=CC=CC=C5C=C4)C6=CC=C(C=C6)Br)C(=O)C2

InChI

InChI=1S/C33H30BrNO2/c1-2-3-18-37-26-15-10-21(11-16-26)24-19-28-31-27-7-5-4-6-22(27)12-17-29(31)35-33(32(28)30(36)20-24)23-8-13-25(34)14-9-23/h4-17,24,33,35H,2-3,18-20H2,1H3