8-(azepan-1-ylmethyl)-7-oxidanyl-3-(4-phenylphenoxy)-2-(trifluoromethyl)chromen-4-one

Systemtic Name: 8-(azepan-1-ylmethyl)-7-oxidanyl-3-(4-phenylphenoxy)-2-(trifluoromethyl)chromen-4-one Openeye Name: 8-(azepan-1-ylmethyl)-7-hydroxy-3-(4-phenylphenoxy)-2-(trifluoromethyl)chromen-4-one CAS Name: 8-(1-azepanylmethyl)-7-hydroxy-3-(4-phenylphenoxy)-2-(trifluoromethyl)-1-benzopyran-4-one IUPAC Name: 8-(azepan-1-ylmethyl)-7-hydroxy-3-(4-phenylphenoxy)-2-(trifluoromethyl)chromen-4-one Traditional Name: 8-(azepan-1-ylmethyl)-7-hydroxy-3-(4-phenylphenoxy)-2-(trifluoromethyl)chromone Formula: C29H26F3NO4 MolecularWeight: 509.51625

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CC2=C(C=CC3=C2OC(=C(C3=O)OC4=CC=C(C=C4)C5=CC=CC=C5)C(F)(F)F)O

Isomeric SMILES

C1CCCN(CC1)CC2=C(C=CC3=C2OC(=C(C3=O)OC4=CC=C(C=C4)C5=CC=CC=C5)C(F)(F)F)O

InChI

InChI=1S/C29H26F3NO4/c30-29(31,32)28-27(36-21-12-10-20(11-13-21)19-8-4-3-5-9-19)25(35)22-14-15-24(34)23(26(22)37-28)18-33-16-6-1-2-7-17-33/h3-5,8-15,34H,1-2,6-7,16-18H2