3-[4-(phenylmethyl)piperazin-1-yl]carbonyl-2-(3,4,5-trimethoxyphenyl)chromen-4-one

Systemtic Name: 3-[4-(phenylmethyl)piperazin-1-yl]carbonyl-2-(3,4,5-trimethoxyphenyl)chromen-4-one Openeye Name: 3-(4-benzylpiperazine-1-carbonyl)-2-(3,4,5-trimethoxyphenyl)chromen-4-one CAS Name: 3-[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]-2-(3,4,5-trimethoxyphenyl)-1-benzopyran-4-one IUPAC Name: 3-(4-benzylpiperazine-1-carbonyl)-2-(3,4,5-trimethoxyphenyl)chromen-4-one Traditional Name: 3-(4-benzylpiperazine-1-carbonyl)-2-(3,4,5-trimethoxyphenyl)chromone Formula: C30H30N2O6 MolecularWeight: 514.569

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=C(C(=O)C3=CC=CC=C3O2)C(=O)N4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=C(C(=O)C3=CC=CC=C3O2)C(=O)N4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C30H30N2O6/c1-35-24-17-21(18-25(36-2)29(24)37-3)28-26(27(33)22-11-7-8-12-23(22)38-28)30(34)32-15-13-31(14-16-32)19-20-9-5-4-6-10-20/h4-12,17-18H,13-16,19H2,1-3H3