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

Systemtic Name: 5-[4-(diethylamino)phenyl]-3,4,5,6-tetrahydro-2H-benzo[a]phenanthridin-1-one Openeye Name: 5-[4-(diethylamino)phenyl]-3,4,5,6-tetrahydro-2H-benzo[a]phenanthridin-1-one CAS Name: 5-[4-(diethylamino)phenyl]-3,4,5,6-tetrahydro-2H-benzo[a]phenanthridin-1-one IUPAC Name: 5-[4-(diethylamino)phenyl]-3,4,5,6-tetrahydro-2H-benzo[a]phenanthridin-1-one Traditional Name: 5-[4-(diethylamino)phenyl]-3,4,5,6-tetrahydro-2H-benzo[a]phenanthridin-1-one Formula: C27H28N2O MolecularWeight: 396.52402

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)C2C3=C(C(=O)CCC3)C4=C(N2)C=CC5=CC=CC=C54

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)C2C3=C(C(=O)CCC3)C4=C(N2)C=CC5=CC=CC=C54

InChI

InChI=1S/C27H28N2O/c1-3-29(4-2)20-15-12-19(13-16-20)27-22-10-7-11-24(30)26(22)25-21-9-6-5-8-18(21)14-17-23(25)28-27/h5-6,8-9,12-17,27-28H,3-4,7,10-11H2,1-2H3