2-(3,5-ditert-butyl-4-oxidanyl-phenyl)-7-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethoxy]chromen-4-one

Systemtic Name: 2-(3,5-ditert-butyl-4-oxidanyl-phenyl)-7-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethoxy]chromen-4-one Openeye Name: 7-[2-(4-benzylpiperazin-1-yl)-2-oxo-ethoxy]-2-(3,5-ditert-butyl-4-hydroxy-phenyl)chromen-4-one CAS Name: 2-(3,5-ditert-butyl-4-hydroxyphenyl)-7-[2-oxo-2-[4-(phenylmethyl)-1-piperazinyl]ethoxy]-1-benzopyran-4-one IUPAC Name: 7-[2-(4-benzylpiperazin-1-yl)-2-oxoethoxy]-2-(3,5-ditert-butyl-4-hydroxyphenyl)chromen-4-one Traditional Name: 7-[2-(4-benzylpiperazino)-2-keto-ethoxy]-2-(3,5-ditert-butyl-4-hydroxy-phenyl)chromone Formula: C36H42N2O5 MolecularWeight: 582.72908

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2=CC(=O)C3=C(O2)C=C(C=C3)OCC(=O)N4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2=CC(=O)C3=C(O2)C=C(C=C3)OCC(=O)N4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C36H42N2O5/c1-35(2,3)28-18-25(19-29(34(28)41)36(4,5)6)31-21-30(39)27-13-12-26(20-32(27)43-31)42-23-33(40)38-16-14-37(15-17-38)22-24-10-8-7-9-11-24/h7-13,18-21,41H,14-17,22-23H2,1-6H3