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

Systemtic Name: 5-[3,5-bis(iodanyl)-2-prop-2-ynoxy-phenyl]-2,2-dimethyl-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one Openeye Name: 5-(3,5-diiodo-2-prop-2-ynoxy-phenyl)-2,2-dimethyl-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one CAS Name: 5-(3,5-diiodo-2-prop-2-ynoxyphenyl)-2,2-dimethyl-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one IUPAC Name: 5-(3,5-diiodo-2-prop-2-ynoxyphenyl)-2,2-dimethyl-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one Traditional Name: 5-(3,5-diiodo-2-propargyloxy-phenyl)-2,2-dimethyl-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one Formula: C28H23I2NO2 MolecularWeight: 659.29666

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(NC3=C2C4=CC=CC=C4C=C3)C5=CC(=CC(=C5OCC#C)I)I)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C(C(NC3=C2C4=CC=CC=C4C=C3)C5=CC(=CC(=C5OCC#C)I)I)C(=O)C1)C

InChI

InChI=1S/C28H23I2NO2/c1-4-11-33-27-19(12-17(29)13-21(27)30)26-25-20(14-28(2,3)15-23(25)32)24-18-8-6-5-7-16(18)9-10-22(24)31-26/h1,5-10,12-13,26,31H,11,14-15H2,2-3H3