3-(4-chlorophenyl)-3-(2-diethylaminoethyl)-4H-isochromen-1-one

Systemtic Name: 3-(4-chlorophenyl)-3-(2-diethylaminoethyl)-4H-isochromen-1-one Openeye Name: 3-(4-chlorophenyl)-3-(2-diethylaminoethyl)isochroman-1-one CAS Name: 3-(4-chlorophenyl)-3-(2-diethylaminoethyl)-3,4-dihydro-1H-2-benzopyran-1-one IUPAC Name: 3-(4-chlorophenyl)-3-(2-diethylaminoethyl)-4H-isochromen-1-one Traditional Name: 3-(4-chlorophenyl)-3-(2-diethylaminoethyl)isochroman-1-one Formula: C21H24ClNO2 MolecularWeight: 357.87376

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCC1(CC2=CC=CC=C2C(=O)O1)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCN(CC)CCC1(CC2=CC=CC=C2C(=O)O1)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H24ClNO2/c1-3-23(4-2)14-13-21(17-9-11-18(22)12-10-17)15-16-7-5-6-8-19(16)20(24)25-21/h5-12H,3-4,13-15H2,1-2H3