6-bromanyl-3-[4-(3,4-dimethylphenyl)piperazin-1-yl]carbonyl-8-methoxy-chromen-2-one

Systemtic Name: 6-bromanyl-3-[4-(3,4-dimethylphenyl)piperazin-1-yl]carbonyl-8-methoxy-chromen-2-one Openeye Name: 6-bromo-3-[4-(3,4-dimethylphenyl)piperazine-1-carbonyl]-8-methoxy-chromen-2-one CAS Name: 6-bromo-3-[[4-(3,4-dimethylphenyl)-1-piperazinyl]-oxomethyl]-8-methoxy-1-benzopyran-2-one IUPAC Name: 6-bromo-3-[4-(3,4-dimethylphenyl)piperazine-1-carbonyl]-8-methoxychromen-2-one Traditional Name: 6-bromo-3-[4-(3,4-dimethylphenyl)piperazine-1-carbonyl]-8-methoxy-coumarin Formula: C23H23BrN2O4 MolecularWeight: 471.34372

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C23H23BrN2O4/c1-14-4-5-18(10-15(14)2)25-6-8-26(9-7-25)22(27)19-12-16-11-17(24)13-20(29-3)21(16)30-23(19)28/h4-5,10-13H,6-9H2,1-3H3