6-(1-adamantyl)-3-(5,6-dimethyl-1H-benzimidazol-2-yl)chromen-2-one

Systemtic Name: 6-(1-adamantyl)-3-(5,6-dimethyl-1H-benzimidazol-2-yl)chromen-2-one Openeye Name: 6-(1-adamantyl)-3-(5,6-dimethyl-1H-benzimidazol-2-yl)chromen-2-one CAS Name: 6-(1-adamantyl)-3-(5,6-dimethyl-1H-benzimidazol-2-yl)-1-benzopyran-2-one IUPAC Name: 6-(1-adamantyl)-3-(5,6-dimethyl-1H-benzimidazol-2-yl)chromen-2-one Traditional Name: 6-(1-adamantyl)-3-(5,6-dimethyl-1H-benzimidazol-2-yl)coumarin Formula: C28H28N2O2 MolecularWeight: 424.53412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)N=C(N2)C3=CC4=C(C=CC(=C4)C56CC7CC(C5)CC(C7)C6)OC3=O

Isomeric SMILES

CC1=CC2=C(C=C1C)N=C(N2)C3=CC4=C(C=CC(=C4)C56CC7CC(C5)CC(C7)C6)OC3=O

InChI

InChI=1S/C28H28N2O2/c1-15-5-23-24(6-16(15)2)30-26(29-23)22-11-20-10-21(3-4-25(20)32-27(22)31)28-12-17-7-18(13-28)9-19(8-17)14-28/h3-6,10-11,17-19H,7-9,12-14H2,1-2H3,(H,29,30)