3-(3,5-dimethylphenoxy)-7-[3-[4-(diphenylmethyl)piperazin-1-yl]-2-oxidanyl-propoxy]chromen-4-one

Systemtic Name: 3-(3,5-dimethylphenoxy)-7-[3-[4-(diphenylmethyl)piperazin-1-yl]-2-oxidanyl-propoxy]chromen-4-one Openeye Name: 7-[3-(4-benzhydrylpiperazin-1-yl)-2-hydroxy-propoxy]-3-(3,5-dimethylphenoxy)chromen-4-one CAS Name: 3-(3,5-dimethylphenoxy)-7-[3-[4-(diphenylmethyl)-1-piperazinyl]-2-hydroxypropoxy]-1-benzopyran-4-one IUPAC Name: 7-[3-(4-benzhydrylpiperazin-1-yl)-2-hydroxypropoxy]-3-(3,5-dimethylphenoxy)chromen-4-one Traditional Name: 7-[3-(4-benzhydrylpiperazino)-2-hydroxy-propoxy]-3-(3,5-dimethylphenoxy)chromone Formula: C37H38N2O5 MolecularWeight: 590.70802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OC2=COC3=C(C2=O)C=CC(=C3)OCC(CN4CCN(CC4)C(C5=CC=CC=C5)C6=CC=CC=C6)O)C

Isomeric SMILES

CC1=CC(=CC(=C1)OC2=COC3=C(C2=O)C=CC(=C3)OCC(CN4CCN(CC4)C(C5=CC=CC=C5)C6=CC=CC=C6)O)C

InChI

InChI=1S/C37H38N2O5/c1-26-19-27(2)21-32(20-26)44-35-25-43-34-22-31(13-14-33(34)37(35)41)42-24-30(40)23-38-15-17-39(18-16-38)36(28-9-5-3-6-10-28)29-11-7-4-8-12-29/h3-14,19-22,25,30,36,40H,15-18,23-24H2,1-2H3