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

Systemtic Name: 5-(4-heptoxy-3-methoxy-phenyl)-2,2-dimethyl-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one Openeye Name: 5-(4-heptoxy-3-methoxy-phenyl)-2,2-dimethyl-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one CAS Name: 5-(4-heptoxy-3-methoxyphenyl)-2,2-dimethyl-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one IUPAC Name: 5-(4-heptoxy-3-methoxyphenyl)-2,2-dimethyl-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one Traditional Name: 5-(4-heptoxy-3-methoxy-phenyl)-2,2-dimethyl-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one Formula: C33H39NO3 MolecularWeight: 497.66766

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=C(C=C(C=C1)C2C3=C(CC(CC3=O)(C)C)C4=C(N2)C=CC5=CC=CC=C54)OC

Isomeric SMILES

CCCCCCCOC1=C(C=C(C=C1)C2C3=C(CC(CC3=O)(C)C)C4=C(N2)C=CC5=CC=CC=C54)OC

InChI

InChI=1S/C33H39NO3/c1-5-6-7-8-11-18-37-28-17-15-23(19-29(28)36-4)32-31-25(20-33(2,3)21-27(31)35)30-24-13-10-9-12-22(24)14-16-26(30)34-32/h9-10,12-17,19,32,34H,5-8,11,18,20-21H2,1-4H3