2-acetamido-3-methyl-N-(5-piperidin-1-ylisoquinolin-8-yl)butanamide

Systemtic Name: 2-acetamido-3-methyl-N-(5-piperidin-1-ylisoquinolin-8-yl)butanamide Openeye Name: 2-acetamido-3-methyl-N-[5-(1-piperidyl)-8-isoquinolyl]butanamide CAS Name: 2-acetamido-3-methyl-N-[5-(1-piperidinyl)-8-isoquinolinyl]butanamide IUPAC Name: 2-acetamido-3-methyl-N-(5-piperidin-1-ylisoquinolin-8-yl)butanamide Traditional Name: 2-acetamido-3-methyl-N-(5-piperidino-8-isoquinolyl)butyramide Formula: C21H28N4O2 MolecularWeight: 368.47262

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1=C2C=NC=CC2=C(C=C1)N3CCCCC3)NC(=O)C

Isomeric SMILES

CC(C)C(C(=O)NC1=C2C=NC=CC2=C(C=C1)N3CCCCC3)NC(=O)C

InChI

InChI=1S/C21H28N4O2/c1-14(2)20(23-15(3)26)21(27)24-18-7-8-19(25-11-5-4-6-12-25)16-9-10-22-13-17(16)18/h7-10,13-14,20H,4-6,11-12H2,1-3H3,(H,23,26)(H,24,27)