(2S)-2-(1H-benzimidazol-2-yl)-4-(3,4-dimethoxyphenyl)-1-phenyl-butane-1,4-dione

Systemtic Name: (2S)-2-(1H-benzimidazol-2-yl)-4-(3,4-dimethoxyphenyl)-1-phenyl-butane-1,4-dione Openeye Name: (2S)-2-(1H-benzimidazol-2-yl)-4-(3,4-dimethoxyphenyl)-1-phenyl-butane-1,4-dione CAS Name: (2S)-2-(1H-benzimidazol-2-yl)-4-(3,4-dimethoxyphenyl)-1-phenylbutane-1,4-dione IUPAC Name: (2S)-2-(1H-benzimidazol-2-yl)-4-(3,4-dimethoxyphenyl)-1-phenylbutane-1,4-dione Traditional Name: (2S)-2-(1H-benzimidazol-2-yl)-4-(3,4-dimethoxyphenyl)-1-phenyl-butane-1,4-dione Formula: C25H22N2O4 MolecularWeight: 414.45318

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)CC(C2=NC3=CC=CC=C3N2)C(=O)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)C[C@@H](C2=NC3=CC=CC=C3N2)C(=O)C4=CC=CC=C4)OC

InChI

InChI=1S/C25H22N2O4/c1-30-22-13-12-17(14-23(22)31-2)21(28)15-18(24(29)16-8-4-3-5-9-16)25-26-19-10-6-7-11-20(19)27-25/h3-14,18H,15H2,1-2H3,(H,26,27)/t18-/m1/s1