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

Systemtic Name: 5-(3-iodanyl-5-methoxy-4-prop-2-ynoxy-phenyl)-2,2-dimethyl-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one Openeye Name: 5-(3-iodo-5-methoxy-4-prop-2-ynoxy-phenyl)-2,2-dimethyl-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one CAS Name: 5-(3-iodo-5-methoxy-4-prop-2-ynoxyphenyl)-2,2-dimethyl-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one IUPAC Name: 5-(3-iodo-5-methoxy-4-prop-2-ynoxyphenyl)-2,2-dimethyl-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one Traditional Name: 5-(3-iodo-5-methoxy-4-propargyloxy-phenyl)-2,2-dimethyl-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one Formula: C29H26INO3 MolecularWeight: 563.42611

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(NC3=C2C4=CC=CC=C4C=C3)C5=CC(=C(C(=C5)I)OCC#C)OC)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C(C(NC3=C2C4=CC=CC=C4C=C3)C5=CC(=C(C(=C5)I)OCC#C)OC)C(=O)C1)C

InChI

InChI=1S/C29H26INO3/c1-5-12-34-28-21(30)13-18(14-24(28)33-4)27-26-20(15-29(2,3)16-23(26)32)25-19-9-7-6-8-17(19)10-11-22(25)31-27/h1,6-11,13-14,27,31H,12,15-16H2,2-4H3