2-(3-chloranylpropyl)-4,4-dimethyl-3H-isoquinolin-1-one

Systemtic Name: 2-(3-chloranylpropyl)-4,4-dimethyl-3H-isoquinolin-1-one Openeye Name: 2-(3-chloropropyl)-4,4-dimethyl-3H-isoquinolin-1-one CAS Name: 2-(3-chloropropyl)-4,4-dimethyl-3H-isoquinolin-1-one IUPAC Name: 2-(3-chloropropyl)-4,4-dimethyl-3H-isoquinolin-1-one Traditional Name: 2-(3-chloropropyl)-4,4-dimethyl-3H-isoquinolin-1-one Formula: C14H18ClNO MolecularWeight: 251.75182

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CN(C(=O)C2=CC=CC=C21)CCCCl)C

Isomeric SMILES

CC1(CN(C(=O)C2=CC=CC=C21)CCCCl)C

InChI

InChI=1S/C14H18ClNO/c1-14(2)10-16(9-5-8-15)13(17)11-6-3-4-7-12(11)14/h3-4,6-7H,5,8-10H2,1-2H3