N-(3-azanylpropyl)-N-[1-[6-chloranyl-1-oxidanylidene-2-(phenylmethyl)isoquinolin-3-yl]-2-methyl-propyl]-2-methoxy-ethanamide

Systemtic Name: N-(3-azanylpropyl)-N-[1-[6-chloranyl-1-oxidanylidene-2-(phenylmethyl)isoquinolin-3-yl]-2-methyl-propyl]-2-methoxy-ethanamide Openeye Name: N-(3-aminopropyl)-N-[1-(2-benzyl-6-chloro-1-oxo-3-isoquinolyl)-2-methyl-propyl]-2-methoxy-acetamide CAS Name: N-(3-aminopropyl)-N-[1-[6-chloro-1-oxo-2-(phenylmethyl)-3-isoquinolinyl]-2-methylpropyl]-2-methoxyacetamide IUPAC Name: N-(3-aminopropyl)-N-[1-(2-benzyl-6-chloro-1-oxoisoquinolin-3-yl)-2-methylpropyl]-2-methoxyacetamide Traditional Name: N-(3-aminopropyl)-N-[1-(2-benzyl-6-chloro-1-keto-3-isoquinolyl)-2-methyl-propyl]-2-methoxy-acetamide Formula: C26H32ClN3O3 MolecularWeight: 470.00358

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC2=C(C=CC(=C2)Cl)C(=O)N1CC3=CC=CC=C3)N(CCCN)C(=O)COC

Isomeric SMILES

CC(C)C(C1=CC2=C(C=CC(=C2)Cl)C(=O)N1CC3=CC=CC=C3)N(CCCN)C(=O)COC

InChI

InChI=1S/C26H32ClN3O3/c1-18(2)25(29(13-7-12-28)24(31)17-33-3)23-15-20-14-21(27)10-11-22(20)26(32)30(23)16-19-8-5-4-6-9-19/h4-6,8-11,14-15,18,25H,7,12-13,16-17,28H2,1-3H3