3-(4-chlorophenyl)-3-(2-dimethylaminoethyl)-6,7-dimethyl-4H-isochromen-1-one

Systemtic Name: 3-(4-chlorophenyl)-3-(2-dimethylaminoethyl)-6,7-dimethyl-4H-isochromen-1-one Openeye Name: 3-(4-chlorophenyl)-3-(2-dimethylaminoethyl)-6,7-dimethyl-isochroman-1-one CAS Name: 3-(4-chlorophenyl)-3-(2-dimethylaminoethyl)-6,7-dimethyl-3,4-dihydro-1H-2-benzopyran-1-one IUPAC Name: 3-(4-chlorophenyl)-3-(2-dimethylaminoethyl)-6,7-dimethyl-4H-isochromen-1-one Traditional Name: 3-(4-chlorophenyl)-3-(2-dimethylaminoethyl)-6,7-dimethyl-isochroman-1-one Formula: C21H24ClNO2 MolecularWeight: 357.87376

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)CC(OC2=O)(CCN(C)C)C3=CC=C(C=C3)Cl)C

Isomeric SMILES

CC1=C(C=C2C(=C1)CC(OC2=O)(CCN(C)C)C3=CC=C(C=C3)Cl)C

InChI

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