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

Systemtic Name: 5-(3-methoxy-4-oxidanyl-phenyl)-3,3-dimethyl-2,4,5,6-tetrahydrobenzo[a]phenanthridin-1-one Openeye Name: 5-(4-hydroxy-3-methoxy-phenyl)-3,3-dimethyl-2,4,5,6-tetrahydrobenzo[a]phenanthridin-1-one CAS Name: 5-(4-hydroxy-3-methoxyphenyl)-3,3-dimethyl-2,4,5,6-tetrahydrobenzo[a]phenanthridin-1-one IUPAC Name: 5-(4-hydroxy-3-methoxyphenyl)-3,3-dimethyl-2,4,5,6-tetrahydrobenzo[a]phenanthridin-1-one Traditional Name: 5-(4-hydroxy-3-methoxy-phenyl)-3,3-dimethyl-2,4,5,6-tetrahydrobenzo[a]phenanthridin-1-one Formula: C26H25NO3 MolecularWeight: 399.4816

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(=O)C1)C3=C(C=CC4=CC=CC=C43)NC2C5=CC(=C(C=C5)O)OC)C

Isomeric SMILES

CC1(CC2=C(C(=O)C1)C3=C(C=CC4=CC=CC=C43)NC2C5=CC(=C(C=C5)O)OC)C

InChI

InChI=1S/C26H25NO3/c1-26(2)13-18-24(21(29)14-26)23-17-7-5-4-6-15(17)8-10-19(23)27-25(18)16-9-11-20(28)22(12-16)30-3/h4-12,25,27-28H,13-14H2,1-3H3