3-(3-imidazol-1-ylphenyl)-N-[4-(2-methoxyethoxy)-3-(2-phenylethynyl)cyclohexa-1,3-dien-1-yl]-3-oxidanylidene-propanamide

Systemtic Name: 3-(3-imidazol-1-ylphenyl)-N-[4-(2-methoxyethoxy)-3-(2-phenylethynyl)cyclohexa-1,3-dien-1-yl]-3-oxidanylidene-propanamide Openeye Name: 3-(3-imidazol-1-ylphenyl)-N-[4-(2-methoxyethoxy)-3-(2-phenylethynyl)cyclohexa-1,3-dien-1-yl]-3-oxo-propanamide CAS Name: 3-[3-(1-imidazolyl)phenyl]-N-[4-(2-methoxyethoxy)-3-(2-phenylethynyl)-1-cyclohexa-1,3-dienyl]-3-oxopropanamide IUPAC Name: 3-(3-imidazol-1-ylphenyl)-N-[4-(2-methoxyethoxy)-3-(2-phenylethynyl)cyclohexa-1,3-dien-1-yl]-3-oxopropanamide Traditional Name: 3-(3-imidazol-1-ylphenyl)-3-keto-N-[4-(2-methoxyethoxy)-3-(2-phenylethynyl)cyclohexa-1,3-dien-1-yl]propionamide Formula: C29H27N3O4 MolecularWeight: 481.54238

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC1=C(C=C(CC1)NC(=O)CC(=O)C2=CC(=CC=C2)N3C=CN=C3)C#CC4=CC=CC=C4

Isomeric SMILES

COCCOC1=C(C=C(CC1)NC(=O)CC(=O)C2=CC(=CC=C2)N3C=CN=C3)C#CC4=CC=CC=C4

InChI

InChI=1S/C29H27N3O4/c1-35-16-17-36-28-13-12-25(18-24(28)11-10-22-6-3-2-4-7-22)31-29(34)20-27(33)23-8-5-9-26(19-23)32-15-14-30-21-32/h2-9,14-15,18-19,21H,12-13,16-17,20H2,1H3,(H,31,34)