(E)-3-(2-methyl-1,3-thiazol-4-yl)-N-(5-piperidin-1-ylisoquinolin-8-yl)prop-2-enamide

Systemtic Name: (E)-3-(2-methyl-1,3-thiazol-4-yl)-N-(5-piperidin-1-ylisoquinolin-8-yl)prop-2-enamide Openeye Name: (E)-3-(2-methylthiazol-4-yl)-N-[5-(1-piperidyl)-8-isoquinolyl]prop-2-enamide CAS Name: (E)-3-(2-methyl-4-thiazolyl)-N-[5-(1-piperidinyl)-8-isoquinolinyl]-2-propenamide IUPAC Name: (E)-3-(2-methyl-1,3-thiazol-4-yl)-N-(5-piperidin-1-ylisoquinolin-8-yl)prop-2-enamide Traditional Name: (E)-3-(2-methylthiazol-4-yl)-N-(5-piperidino-8-isoquinolyl)acrylamide Formula: C21H22N4OS MolecularWeight: 378.49058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)C=CC(=O)NC2=C3C=NC=CC3=C(C=C2)N4CCCCC4

Isomeric SMILES

CC1=NC(=CS1)/C=C/C(=O)NC2=C3C=NC=CC3=C(C=C2)N4CCCCC4

InChI

InChI=1S/C21H22N4OS/c1-15-23-16(14-27-15)5-8-21(26)24-19-6-7-20(25-11-3-2-4-12-25)17-9-10-22-13-18(17)19/h5-10,13-14H,2-4,11-12H2,1H3,(H,24,26)/b8-5+