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

Systemtic Name: 6-bromanyl-3-[4-(diphenylmethyl)piperazin-1-yl]carbonyl-8-methoxy-chromen-2-one Openeye Name: 3-(4-benzhydrylpiperazine-1-carbonyl)-6-bromo-8-methoxy-chromen-2-one CAS Name: 6-bromo-3-[[4-(diphenylmethyl)-1-piperazinyl]-oxomethyl]-8-methoxy-1-benzopyran-2-one IUPAC Name: 3-(4-benzhydrylpiperazine-1-carbonyl)-6-bromo-8-methoxychromen-2-one Traditional Name: 3-(4-benzhydrylpiperazine-1-carbonyl)-6-bromo-8-methoxy-coumarin Formula: C28H25BrN2O4 MolecularWeight: 533.4131

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=CC(=C1)Br)C=C(C(=O)O2)C(=O)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

COC1=C2C(=CC(=C1)Br)C=C(C(=O)O2)C(=O)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H25BrN2O4/c1-34-24-18-22(29)16-21-17-23(28(33)35-26(21)24)27(32)31-14-12-30(13-15-31)25(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-11,16-18,25H,12-15H2,1H3