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

Systemtic Name: 3-(3-imidazol-1-ylphenyl)-N-[4-(4-methoxypiperidin-1-yl)-3-(2-phenylethynyl)cyclohexa-1,3-dien-1-yl]-3-oxidanylidene-propanamide Openeye Name: 3-(3-imidazol-1-ylphenyl)-N-[4-(4-methoxy-1-piperidyl)-3-(2-phenylethynyl)cyclohexa-1,3-dien-1-yl]-3-oxo-propanamide CAS Name: 3-[3-(1-imidazolyl)phenyl]-N-[4-(4-methoxy-1-piperidinyl)-3-(2-phenylethynyl)-1-cyclohexa-1,3-dienyl]-3-oxopropanamide IUPAC Name: 3-(3-imidazol-1-ylphenyl)-N-[4-(4-methoxypiperidin-1-yl)-3-(2-phenylethynyl)cyclohexa-1,3-dien-1-yl]-3-oxopropanamide Traditional Name: 3-(3-imidazol-1-ylphenyl)-3-keto-N-[4-(4-methoxypiperidino)-3-(2-phenylethynyl)cyclohexa-1,3-dien-1-yl]propionamide Formula: C32H32N4O3 MolecularWeight: 520.62148

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Descriptors Computed from Structure

Canonical SMILES:

COC1CCN(CC1)C2=C(C=C(CC2)NC(=O)CC(=O)C3=CC(=CC=C3)N4C=CN=C4)C#CC5=CC=CC=C5

Isomeric SMILES

COC1CCN(CC1)C2=C(C=C(CC2)NC(=O)CC(=O)C3=CC(=CC=C3)N4C=CN=C4)C#CC5=CC=CC=C5

InChI

InChI=1S/C32H32N4O3/c1-39-29-14-17-35(18-15-29)30-13-12-27(20-25(30)11-10-24-6-3-2-4-7-24)34-32(38)22-31(37)26-8-5-9-28(21-26)36-19-16-33-23-36/h2-9,16,19-21,23,29H,12-15,17-18,22H2,1H3,(H,34,38)