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

Systemtic Name: 6-(4-ethylphenyl)-10,11-dimethoxy-7,7a-dihydroisoindolo[2,3-a][1,5]benzodiazepin-12-one Openeye Name: 6-(4-ethylphenyl)-10,11-dimethoxy-7,7a-dihydroisoindolo[2,3-a][1,5]benzodiazepin-12-one CAS Name: 6-(4-ethylphenyl)-10,11-dimethoxy-7,7a-dihydroisoindolo[2,3-a][1,5]benzodiazepin-12-one IUPAC Name: 6-(4-ethylphenyl)-10,11-dimethoxy-7,7a-dihydroisoindolo[2,3-a][1,5]benzodiazepin-12-one Traditional Name: 6-(4-ethylphenyl)-10,11-dimethoxy-7,7a-dihydroisoindolo[2,3-a][1,5]benzodiazepin-12-one Formula: C26H24N2O3 MolecularWeight: 412.48036

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC3=CC=CC=C3N4C(C2)C5=C(C4=O)C(=C(C=C5)OC)OC

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC3=CC=CC=C3N4C(C2)C5=C(C4=O)C(=C(C=C5)OC)OC

InChI

InChI=1S/C26H24N2O3/c1-4-16-9-11-17(12-10-16)20-15-22-18-13-14-23(30-2)25(31-3)24(18)26(29)28(22)21-8-6-5-7-19(21)27-20/h5-14,22H,4,15H2,1-3H3