4-ethyl-4-phenyl-2,3-dihydroisoquinolin-1-one; 3-iodanylbutan-1-amine

Systemtic Name: 4-ethyl-4-phenyl-2,3-dihydroisoquinolin-1-one; 3-iodanylbutan-1-amine Openeye Name: 4-ethyl-4-phenyl-2,3-dihydroisoquinolin-1-one; 3-iodobutan-1-amine CAS Name: 4-ethyl-4-phenyl-2,3-dihydroisoquinolin-1-one; 3-iodo-1-butanamine IUPAC Name: 4-ethyl-4-phenyl-2,3-dihydroisoquinolin-1-one; 3-iodobutan-1-amine Traditional Name: 4-ethyl-4-phenyl-2,3-dihydroisoquinolin-1-one; 3-iodobutylamine Formula: C21H27IN2O MolecularWeight: 450.35635

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CNC(=O)C2=CC=CC=C21)C3=CC=CC=C3.CC(CCN)I

Isomeric SMILES

CCC1(CNC(=O)C2=CC=CC=C21)C3=CC=CC=C3.CC(CCN)I

InChI

InChI=1S/C17H17NO.C4H10IN/c1-2-17(13-8-4-3-5-9-13)12-18-16(19)14-10-6-7-11-15(14)17;1-4(5)2-3-6/h3-11H,2,12H2,1H3,(H,18,19);4H,2-3,6H2,1H3