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

Systemtic Name: 3-(3-imidazol-1-ylphenyl)-N-[4-(oxan-2-yloxymethyl)-3-(2-phenylethynyl)cyclohexa-1,3-dien-1-yl]-3-oxidanylidene-propanamide Openeye Name: 3-(3-imidazol-1-ylphenyl)-3-oxo-N-[3-(2-phenylethynyl)-4-(tetrahydropyran-2-yloxymethyl)cyclohexa-1,3-dien-1-yl]propanamide CAS Name: 3-[3-(1-imidazolyl)phenyl]-N-[4-(2-oxanyloxymethyl)-3-(2-phenylethynyl)-1-cyclohexa-1,3-dienyl]-3-oxopropanamide IUPAC Name: 3-(3-imidazol-1-ylphenyl)-N-[4-(oxan-2-yloxymethyl)-3-(2-phenylethynyl)cyclohexa-1,3-dien-1-yl]-3-oxopropanamide Traditional Name: 3-(3-imidazol-1-ylphenyl)-3-keto-N-[3-(2-phenylethynyl)-4-(tetrahydropyran-2-yloxymethyl)cyclohexa-1,3-dien-1-yl]propionamide Formula: C32H31N3O4 MolecularWeight: 521.60624

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)OCC2=C(C=C(CC2)NC(=O)CC(=O)C3=CC(=CC=C3)N4C=CN=C4)C#CC5=CC=CC=C5

Isomeric SMILES

C1CCOC(C1)OCC2=C(C=C(CC2)NC(=O)CC(=O)C3=CC(=CC=C3)N4C=CN=C4)C#CC5=CC=CC=C5

InChI

InChI=1S/C32H31N3O4/c36-30(26-9-6-10-29(20-26)35-17-16-33-23-35)21-31(37)34-28-15-14-27(22-39-32-11-4-5-18-38-32)25(19-28)13-12-24-7-2-1-3-8-24/h1-3,6-10,16-17,19-20,23,32H,4-5,11,14-15,18,21-22H2,(H,34,37)