8-(1,3-benzodioxol-5-yl)-11,11-dimethyl-7,8,10,12-tetrahydrobenzo[a][4,7]phenanthrolin-9-one

Systemtic Name: 8-(1,3-benzodioxol-5-yl)-11,11-dimethyl-7,8,10,12-tetrahydrobenzo[a][4,7]phenanthrolin-9-one Openeye Name: 8-(1,3-benzodioxol-5-yl)-11,11-dimethyl-7,8,10,12-tetrahydrobenzo[a][4,7]phenanthrolin-9-one CAS Name: 8-(1,3-benzodioxol-5-yl)-11,11-dimethyl-7,8,10,12-tetrahydrobenzo[a][4,7]phenanthrolin-9-one IUPAC Name: 8-(1,3-benzodioxol-5-yl)-11,11-dimethyl-7,8,10,12-tetrahydrobenzo[a][4,7]phenanthrolin-9-one Traditional Name: 8-(1,3-benzodioxol-5-yl)-11,11-dimethyl-7,8,10,12-tetrahydrobenzo[a][4,7]phenanthrolin-9-one Formula: C25H22N2O3 MolecularWeight: 398.45378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(NC3=C2C4=C(C=C3)N=CC=C4)C5=CC6=C(C=C5)OCO6)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C(C(NC3=C2C4=C(C=C3)N=CC=C4)C5=CC6=C(C=C5)OCO6)C(=O)C1)C

InChI

InChI=1S/C25H22N2O3/c1-25(2)11-16-22-15-4-3-9-26-17(15)6-7-18(22)27-24(23(16)19(28)12-25)14-5-8-20-21(10-14)30-13-29-20/h3-10,24,27H,11-13H2,1-2H3