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

Systemtic Name: 2-[[4-[[4-oxidanyl-3,5-di(propan-2-yl)phenyl]methyl]piperazin-1-yl]methyl]chromen-4-one Openeye Name: 2-[[4-[(4-hydroxy-3,5-diisopropyl-phenyl)methyl]piperazin-1-yl]methyl]chromen-4-one CAS Name: 2-[[4-[[4-hydroxy-3,5-di(propan-2-yl)phenyl]methyl]-1-piperazinyl]methyl]-1-benzopyran-4-one IUPAC Name: 2-[[4-[[4-hydroxy-3,5-di(propan-2-yl)phenyl]methyl]piperazin-1-yl]methyl]chromen-4-one Traditional Name: 2-[[4-(4-hydroxy-3,5-diisopropyl-benzyl)piperazino]methyl]chromone Formula: C27H34N2O3 MolecularWeight: 434.57046

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H34N2O3/c1-18(2)23-13-20(14-24(19(3)4)27(23)31)16-28-9-11-29(12-10-28)17-21-15-25(30)22-7-5-6-8-26(22)32-21/h5-8,13-15,18-19,31H,9-12,16-17H2,1-4H3