2-(1,3-diethyl-2-oxidanylidene-benzimidazol-5-yl)-1-(3-methylphenyl)-4-pyridin-3-yl-butane-1,4-dione

Systemtic Name: 2-(1,3-diethyl-2-oxidanylidene-benzimidazol-5-yl)-1-(3-methylphenyl)-4-pyridin-3-yl-butane-1,4-dione Openeye Name: 2-(1,3-diethyl-2-oxo-benzimidazol-5-yl)-1-(m-tolyl)-4-(3-pyridyl)butane-1,4-dione CAS Name: 2-(1,3-diethyl-2-oxo-5-benzimidazolyl)-1-(3-methylphenyl)-4-(3-pyridinyl)butane-1,4-dione IUPAC Name: 2-(1,3-diethyl-2-oxobenzimidazol-5-yl)-1-(3-methylphenyl)-4-pyridin-3-ylbutane-1,4-dione Traditional Name: 2-(1,3-diethyl-2-keto-benzimidazol-5-yl)-1-(m-tolyl)-4-(3-pyridyl)butane-1,4-dione Formula: C27H27N3O3 MolecularWeight: 441.52158

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(CC(=O)C3=CN=CC=C3)C(=O)C4=CC(=CC=C4)C)N(C1=O)CC

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(CC(=O)C3=CN=CC=C3)C(=O)C4=CC(=CC=C4)C)N(C1=O)CC

InChI

InChI=1S/C27H27N3O3/c1-4-29-23-12-11-19(15-24(23)30(5-2)27(29)33)22(16-25(31)21-10-7-13-28-17-21)26(32)20-9-6-8-18(3)14-20/h6-15,17,22H,4-5,16H2,1-3H3