(E)-N-isoquinolin-5-yl-3-(4-piperidin-1-ylphenyl)but-2-enamide

Systemtic Name: (E)-N-isoquinolin-5-yl-3-(4-piperidin-1-ylphenyl)but-2-enamide Openeye Name: (E)-N-(5-isoquinolyl)-3-[4-(1-piperidyl)phenyl]but-2-enamide CAS Name: (E)-N-(5-isoquinolinyl)-3-[4-(1-piperidinyl)phenyl]-2-butenamide IUPAC Name: (E)-N-isoquinolin-5-yl-3-(4-piperidin-1-ylphenyl)but-2-enamide Traditional Name: (E)-N-(5-isoquinolyl)-3-(4-piperidinophenyl)but-2-enamide Formula: C24H25N3O MolecularWeight: 371.4748

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)NC1=CC=CC2=C1C=CN=C2)C3=CC=C(C=C3)N4CCCCC4

Isomeric SMILES

C/C(=C\C(=O)NC1=CC=CC2=C1C=CN=C2)/C3=CC=C(C=C3)N4CCCCC4

InChI

InChI=1S/C24H25N3O/c1-18(19-8-10-21(11-9-19)27-14-3-2-4-15-27)16-24(28)26-23-7-5-6-20-17-25-13-12-22(20)23/h5-13,16-17H,2-4,14-15H2,1H3,(H,26,28)/b18-16+