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

Systemtic Name: 5-(3,4-dimethoxyphenyl)-3,4,5,6-tetrahydro-2H-benzo[a]phenanthridin-1-one Openeye Name: 5-(3,4-dimethoxyphenyl)-3,4,5,6-tetrahydro-2H-benzo[a]phenanthridin-1-one CAS Name: 5-(3,4-dimethoxyphenyl)-3,4,5,6-tetrahydro-2H-benzo[a]phenanthridin-1-one IUPAC Name: 5-(3,4-dimethoxyphenyl)-3,4,5,6-tetrahydro-2H-benzo[a]phenanthridin-1-one Traditional Name: 5-(3,4-dimethoxyphenyl)-3,4,5,6-tetrahydro-2H-benzo[a]phenanthridin-1-one Formula: C25H23NO3 MolecularWeight: 385.45502

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2C3=C(C(=O)CCC3)C4=C(N2)C=CC5=CC=CC=C54)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2C3=C(C(=O)CCC3)C4=C(N2)C=CC5=CC=CC=C54)OC

InChI

InChI=1S/C25H23NO3/c1-28-21-13-11-16(14-22(21)29-2)25-18-8-5-9-20(27)24(18)23-17-7-4-3-6-15(17)10-12-19(23)26-25/h3-4,6-7,10-14,25-26H,5,8-9H2,1-2H3