10,11-dimethoxy-6-(4-methoxyphenyl)-7,7a-dihydroisoindolo[2,3-a][1,5]benzodiazepin-12-one

Systemtic Name: 10,11-dimethoxy-6-(4-methoxyphenyl)-7,7a-dihydroisoindolo[2,3-a][1,5]benzodiazepin-12-one Openeye Name: 10,11-dimethoxy-6-(4-methoxyphenyl)-7,7a-dihydroisoindolo[2,3-a][1,5]benzodiazepin-12-one CAS Name: 10,11-dimethoxy-6-(4-methoxyphenyl)-7,7a-dihydroisoindolo[2,3-a][1,5]benzodiazepin-12-one IUPAC Name: 10,11-dimethoxy-6-(4-methoxyphenyl)-7,7a-dihydroisoindolo[2,3-a][1,5]benzodiazepin-12-one Traditional Name: 10,11-dimethoxy-6-(4-methoxyphenyl)-7,7a-dihydroisoindolo[2,3-a][1,5]benzodiazepin-12-one Formula: C25H22N2O4 MolecularWeight: 414.45318

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC3=CC=CC=C3N4C(C2)C5=C(C4=O)C(=C(C=C5)OC)OC

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC3=CC=CC=C3N4C(C2)C5=C(C4=O)C(=C(C=C5)OC)OC

InChI

InChI=1S/C25H22N2O4/c1-29-16-10-8-15(9-11-16)19-14-21-17-12-13-22(30-2)24(31-3)23(17)25(28)27(21)20-7-5-4-6-18(20)26-19/h4-13,21H,14H2,1-3H3