6-bromanyl-3-[4-(3-chloranyl-4-methyl-phenyl)piperazin-1-yl]carbonyl-8-methoxy-chromen-2-one

Systemtic Name: 6-bromanyl-3-[4-(3-chloranyl-4-methyl-phenyl)piperazin-1-yl]carbonyl-8-methoxy-chromen-2-one Openeye Name: 6-bromo-3-[4-(3-chloro-4-methyl-phenyl)piperazine-1-carbonyl]-8-methoxy-chromen-2-one CAS Name: 6-bromo-3-[[4-(3-chloro-4-methylphenyl)-1-piperazinyl]-oxomethyl]-8-methoxy-1-benzopyran-2-one IUPAC Name: 6-bromo-3-[4-(3-chloro-4-methylphenyl)piperazine-1-carbonyl]-8-methoxychromen-2-one Traditional Name: 6-bromo-3-[4-(3-chloro-4-methyl-phenyl)piperazine-1-carbonyl]-8-methoxy-coumarin Formula: C22H20BrClN2O4 MolecularWeight: 491.7622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2CCN(CC2)C(=O)C3=CC4=CC(=CC(=C4OC3=O)OC)Br)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2CCN(CC2)C(=O)C3=CC4=CC(=CC(=C4OC3=O)OC)Br)Cl

InChI

InChI=1S/C22H20BrClN2O4/c1-13-3-4-16(12-18(13)24)25-5-7-26(8-6-25)21(27)17-10-14-9-15(23)11-19(29-2)20(14)30-22(17)28/h3-4,9-12H,5-8H2,1-2H3