4-oxidanylidene-N-(5-piperidin-1-ylisoquinolin-8-yl)-4-thiophen-2-yl-butanamide

Systemtic Name: 4-oxidanylidene-N-(5-piperidin-1-ylisoquinolin-8-yl)-4-thiophen-2-yl-butanamide Openeye Name: 4-oxo-N-[5-(1-piperidyl)-8-isoquinolyl]-4-(2-thienyl)butanamide CAS Name: 4-oxo-N-[5-(1-piperidinyl)-8-isoquinolinyl]-4-thiophen-2-ylbutanamide IUPAC Name: 4-oxo-N-(5-piperidin-1-ylisoquinolin-8-yl)-4-thiophen-2-ylbutanamide Traditional Name: 4-keto-N-(5-piperidino-8-isoquinolyl)-4-(2-thienyl)butyramide Formula: C22H23N3O2S MolecularWeight: 393.50192

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C3C=CN=CC3=C(C=C2)NC(=O)CCC(=O)C4=CC=CS4

Isomeric SMILES

C1CCN(CC1)C2=C3C=CN=CC3=C(C=C2)NC(=O)CCC(=O)C4=CC=CS4

InChI

InChI=1S/C22H23N3O2S/c26-20(21-5-4-14-28-21)8-9-22(27)24-18-6-7-19(25-12-2-1-3-13-25)16-10-11-23-15-17(16)18/h4-7,10-11,14-15H,1-3,8-9,12-13H2,(H,24,27)