N-(isoquinolin-5-ylmethyl)-N-methyl-2-[3-oxidanylidene-1-(pyridin-3-ylmethyl)piperazin-2-yl]ethanamide

Systemtic Name: N-(isoquinolin-5-ylmethyl)-N-methyl-2-[3-oxidanylidene-1-(pyridin-3-ylmethyl)piperazin-2-yl]ethanamide Openeye Name: N-(5-isoquinolylmethyl)-N-methyl-2-[3-oxo-1-(3-pyridylmethyl)piperazin-2-yl]acetamide CAS Name: N-(5-isoquinolinylmethyl)-N-methyl-2-[3-oxo-1-(3-pyridinylmethyl)-2-piperazinyl]acetamide IUPAC Name: N-(isoquinolin-5-ylmethyl)-N-methyl-2-[3-oxo-1-(pyridin-3-ylmethyl)piperazin-2-yl]acetamide Traditional Name: N-(5-isoquinolylmethyl)-2-[3-keto-1-(3-pyridylmethyl)piperazin-2-yl]-N-methyl-acetamide Formula: C23H25N5O2 MolecularWeight: 403.4769

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC2=C1C=CN=C2)C(=O)CC3C(=O)NCCN3CC4=CN=CC=C4

Isomeric SMILES

CN(CC1=CC=CC2=C1C=CN=C2)C(=O)CC3C(=O)NCCN3CC4=CN=CC=C4

InChI

InChI=1S/C23H25N5O2/c1-27(16-19-6-2-5-18-14-25-9-7-20(18)19)22(29)12-21-23(30)26-10-11-28(21)15-17-4-3-8-24-13-17/h2-9,13-14,21H,10-12,15-16H2,1H3,(H,26,30)