6-(1-adamantyl)-3-(6-methyl-1H-benzimidazol-2-yl)chromen-2-one

Systemtic Name: 6-(1-adamantyl)-3-(6-methyl-1H-benzimidazol-2-yl)chromen-2-one Openeye Name: 6-(1-adamantyl)-3-(6-methyl-1H-benzimidazol-2-yl)chromen-2-one CAS Name: 6-(1-adamantyl)-3-(6-methyl-1H-benzimidazol-2-yl)-1-benzopyran-2-one IUPAC Name: 6-(1-adamantyl)-3-(6-methyl-1H-benzimidazol-2-yl)chromen-2-one Traditional Name: 6-(1-adamantyl)-3-(6-methyl-1H-benzimidazol-2-yl)coumarin Formula: C27H26N2O2 MolecularWeight: 410.50754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N2)C3=CC4=C(C=CC(=C4)C56CC7CC(C5)CC(C7)C6)OC3=O

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N2)C3=CC4=C(C=CC(=C4)C56CC7CC(C5)CC(C7)C6)OC3=O

InChI

InChI=1S/C27H26N2O2/c1-15-2-4-22-23(6-15)29-25(28-22)21-11-19-10-20(3-5-24(19)31-26(21)30)27-12-16-7-17(13-27)9-18(8-16)14-27/h2-6,10-11,16-18H,7-9,12-14H2,1H3,(H,28,29)