2-[[4-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methyl]piperazin-1-yl]methyl]chromen-4-one

Systemtic Name: 2-[[4-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methyl]piperazin-1-yl]methyl]chromen-4-one Openeye Name: 2-[[4-[(3,5-ditert-butyl-4-hydroxy-phenyl)methyl]piperazin-1-yl]methyl]chromen-4-one CAS Name: 2-[[4-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-1-piperazinyl]methyl]-1-benzopyran-4-one IUPAC Name: 2-[[4-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]piperazin-1-yl]methyl]chromen-4-one Traditional Name: 2-[[4-(3,5-ditert-butyl-4-hydroxy-benzyl)piperazino]methyl]chromone Formula: C29H38N2O3 MolecularWeight: 462.62362

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CN2CCN(CC2)CC3=CC(=O)C4=CC=CC=C4O3

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CN2CCN(CC2)CC3=CC(=O)C4=CC=CC=C4O3

InChI

InChI=1S/C29H38N2O3/c1-28(2,3)23-15-20(16-24(27(23)33)29(4,5)6)18-30-11-13-31(14-12-30)19-21-17-25(32)22-9-7-8-10-26(22)34-21/h7-10,15-17,33H,11-14,18-19H2,1-6H3