4-[[4-(2,4-dichlorophenyl)carbonylpiperazin-1-yl]methyl]-7,8-dimethyl-chromen-2-one

Systemtic Name: 4-[[4-(2,4-dichlorophenyl)carbonylpiperazin-1-yl]methyl]-7,8-dimethyl-chromen-2-one Openeye Name: 4-[[4-(2,4-dichlorobenzoyl)piperazin-1-yl]methyl]-7,8-dimethyl-chromen-2-one CAS Name: 4-[[4-[(2,4-dichlorophenyl)-oxomethyl]-1-piperazinyl]methyl]-7,8-dimethyl-1-benzopyran-2-one IUPAC Name: 4-[[4-(2,4-dichlorobenzoyl)piperazin-1-yl]methyl]-7,8-dimethylchromen-2-one Traditional Name: 4-[[4-(2,4-dichlorobenzoyl)piperazino]methyl]-7,8-dimethyl-coumarin Formula: C23H22Cl2N2O3 MolecularWeight: 445.33838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CN3CCN(CC3)C(=O)C4=C(C=C(C=C4)Cl)Cl)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CN3CCN(CC3)C(=O)C4=C(C=C(C=C4)Cl)Cl)C

InChI

InChI=1S/C23H22Cl2N2O3/c1-14-3-5-18-16(11-21(28)30-22(18)15(14)2)13-26-7-9-27(10-8-26)23(29)19-6-4-17(24)12-20(19)25/h3-6,11-12H,7-10,13H2,1-2H3