3-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]carbonyl-7-methoxy-chromen-2-one

Systemtic Name: 3-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]carbonyl-7-methoxy-chromen-2-one Openeye Name: 3-[4-[(3,4-dichlorophenyl)methyl]piperazine-1-carbonyl]-7-methoxy-chromen-2-one CAS Name: 3-[[4-[(3,4-dichlorophenyl)methyl]-1-piperazinyl]-oxomethyl]-7-methoxy-1-benzopyran-2-one IUPAC Name: 3-[4-[(3,4-dichlorophenyl)methyl]piperazine-1-carbonyl]-7-methoxychromen-2-one Traditional Name: 3-[4-(3,4-dichlorobenzyl)piperazine-1-carbonyl]-7-methoxy-coumarin Formula: C22H20Cl2N2O4 MolecularWeight: 447.3112

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C=C(C(=O)O2)C(=O)N3CCN(CC3)CC4=CC(=C(C=C4)Cl)Cl

Isomeric SMILES

COC1=CC2=C(C=C1)C=C(C(=O)O2)C(=O)N3CCN(CC3)CC4=CC(=C(C=C4)Cl)Cl

InChI

InChI=1S/C22H20Cl2N2O4/c1-29-16-4-3-15-11-17(22(28)30-20(15)12-16)21(27)26-8-6-25(7-9-26)13-14-2-5-18(23)19(24)10-14/h2-5,10-12H,6-9,13H2,1H3