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

Systemtic Name: 3-(3-cyanophenyl)-N-[4-(4-methoxypiperidin-1-yl)-3-(2-phenylethynyl)cyclohexa-1,3-dien-1-yl]-3-oxidanylidene-propanamide Openeye Name: 3-(3-cyanophenyl)-N-[4-(4-methoxy-1-piperidyl)-3-(2-phenylethynyl)cyclohexa-1,3-dien-1-yl]-3-oxo-propanamide CAS Name: 3-(3-cyanophenyl)-N-[4-(4-methoxy-1-piperidinyl)-3-(2-phenylethynyl)-1-cyclohexa-1,3-dienyl]-3-oxopropanamide IUPAC Name: 3-(3-cyanophenyl)-N-[4-(4-methoxypiperidin-1-yl)-3-(2-phenylethynyl)cyclohexa-1,3-dien-1-yl]-3-oxopropanamide Traditional Name: 3-(3-cyanophenyl)-3-keto-N-[4-(4-methoxypiperidino)-3-(2-phenylethynyl)cyclohexa-1,3-dien-1-yl]propionamide Formula: C30H29N3O3 MolecularWeight: 479.56956

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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)C#N)C#CC4=CC=CC=C4

Isomeric SMILES

COC1CCN(CC1)C2=C(C=C(CC2)NC(=O)CC(=O)C3=CC=CC(=C3)C#N)C#CC4=CC=CC=C4

InChI

InChI=1S/C30H29N3O3/c1-36-27-14-16-33(17-15-27)28-13-12-26(19-24(28)11-10-22-6-3-2-4-7-22)32-30(35)20-29(34)25-9-5-8-23(18-25)21-31/h2-9,18-19,27H,12-17,20H2,1H3,(H,32,35)