3-(4-fluorophenyl)-7-[(2S)-3-(4-methyl-1,4-diazepan-1-yl)-2-oxidanyl-propoxy]chromen-4-one

Systemtic Name: 3-(4-fluorophenyl)-7-[(2S)-3-(4-methyl-1,4-diazepan-1-yl)-2-oxidanyl-propoxy]chromen-4-one Openeye Name: 3-(4-fluorophenyl)-7-[(2S)-2-hydroxy-3-(4-methyl-1,4-diazepan-1-yl)propoxy]chromen-4-one CAS Name: 3-(4-fluorophenyl)-7-[(2S)-2-hydroxy-3-(4-methyl-1,4-diazepan-1-yl)propoxy]-1-benzopyran-4-one IUPAC Name: 3-(4-fluorophenyl)-7-[(2S)-2-hydroxy-3-(4-methyl-1,4-diazepan-1-yl)propoxy]chromen-4-one Traditional Name: 3-(4-fluorophenyl)-7-[(2S)-2-hydroxy-3-(4-methyl-1,4-diazepan-1-yl)propoxy]chromone Formula: C24H27FN2O4 MolecularWeight: 426.480583

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCCN(CC1)CC(COC2=CC3=C(C=C2)C(=O)C(=CO3)C4=CC=C(C=C4)F)O

Isomeric SMILES

CN1CCCN(CC1)C[C@@H](COC2=CC3=C(C=C2)C(=O)C(=CO3)C4=CC=C(C=C4)F)O

InChI

InChI=1S/C24H27FN2O4/c1-26-9-2-10-27(12-11-26)14-19(28)15-30-20-7-8-21-23(13-20)31-16-22(24(21)29)17-3-5-18(25)6-4-17/h3-8,13,16,19,28H,2,9-12,14-15H2,1H3/t19-/m0/s1