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

Systemtic Name: (E)-3-(1-methylpyrazol-4-yl)-N-(5-piperidin-1-ylisoquinolin-8-yl)prop-2-enamide Openeye Name: (E)-3-(1-methylpyrazol-4-yl)-N-[5-(1-piperidyl)-8-isoquinolyl]prop-2-enamide CAS Name: (E)-3-(1-methyl-4-pyrazolyl)-N-[5-(1-piperidinyl)-8-isoquinolinyl]-2-propenamide IUPAC Name: (E)-3-(1-methylpyrazol-4-yl)-N-(5-piperidin-1-ylisoquinolin-8-yl)prop-2-enamide Traditional Name: (E)-3-(1-methylpyrazol-4-yl)-N-(5-piperidino-8-isoquinolyl)acrylamide Formula: C21H23N5O MolecularWeight: 361.44022

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C=CC(=O)NC2=C3C=NC=CC3=C(C=C2)N4CCCCC4

Isomeric SMILES

CN1C=C(C=N1)/C=C/C(=O)NC2=C3C=NC=CC3=C(C=C2)N4CCCCC4

InChI

InChI=1S/C21H23N5O/c1-25-15-16(13-23-25)5-8-21(27)24-19-6-7-20(26-11-3-2-4-12-26)17-9-10-22-14-18(17)19/h5-10,13-15H,2-4,11-12H2,1H3,(H,24,27)/b8-5+