3-chloranyl-10,11-dimethoxy-6-phenyl-7,7a-dihydroisoindolo[2,3-a][1,5]benzodiazepin-12-one

Systemtic Name: 3-chloranyl-10,11-dimethoxy-6-phenyl-7,7a-dihydroisoindolo[2,3-a][1,5]benzodiazepin-12-one Openeye Name: 3-chloro-10,11-dimethoxy-6-phenyl-7,7a-dihydroisoindolo[2,3-a][1,5]benzodiazepin-12-one CAS Name: 3-chloro-10,11-dimethoxy-6-phenyl-7,7a-dihydroisoindolo[2,3-a][1,5]benzodiazepin-12-one IUPAC Name: 3-chloro-10,11-dimethoxy-6-phenyl-7,7a-dihydroisoindolo[2,3-a][1,5]benzodiazepin-12-one Traditional Name: 3-chloro-10,11-dimethoxy-6-phenyl-7,7a-dihydroisoindolo[2,3-a][1,5]benzodiazepin-12-one Formula: C24H19ClN2O3 MolecularWeight: 418.87226

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C1)C3CC(=NC4=C(N3C2=O)C=CC(=C4)Cl)C5=CC=CC=C5)OC

Isomeric SMILES

COC1=C(C2=C(C=C1)C3CC(=NC4=C(N3C2=O)C=CC(=C4)Cl)C5=CC=CC=C5)OC

InChI

InChI=1S/C24H19ClN2O3/c1-29-21-11-9-16-20-13-17(14-6-4-3-5-7-14)26-18-12-15(25)8-10-19(18)27(20)24(28)22(16)23(21)30-2/h3-12,20H,13H2,1-2H3