8-[[4-[(4-fluorophenyl)methyl]-1,4-diazepan-4-ium-1-yl]carbonyl]-3-methyl-2-phenyl-chromen-4-one

Systemtic Name: 8-[[4-[(4-fluorophenyl)methyl]-1,4-diazepan-4-ium-1-yl]carbonyl]-3-methyl-2-phenyl-chromen-4-one Openeye Name: 8-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-4-ium-1-carbonyl]-3-methyl-2-phenyl-chromen-4-one CAS Name: 8-[[4-[(4-fluorophenyl)methyl]-1,4-diazepan-4-ium-1-yl]-oxomethyl]-3-methyl-2-phenyl-1-benzopyran-4-one IUPAC Name: 8-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-4-ium-1-carbonyl]-3-methyl-2-phenylchromen-4-one Traditional Name: 8-[4-(4-fluorobenzyl)-1,4-diazepan-4-ium-1-carbonyl]-3-methyl-2-phenyl-chromone Formula: C29H28FN2O3+ MolecularWeight: 471.542623

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C(C1=O)C=CC=C2C(=O)N3CCC[NH+](CC3)CC4=CC=C(C=C4)F)C5=CC=CC=C5

Isomeric SMILES

CC1=C(OC2=C(C1=O)C=CC=C2C(=O)N3CCC[NH+](CC3)CC4=CC=C(C=C4)F)C5=CC=CC=C5

InChI

InChI=1S/C29H27FN2O3/c1-20-26(33)24-9-5-10-25(28(24)35-27(20)22-7-3-2-4-8-22)29(34)32-16-6-15-31(17-18-32)19-21-11-13-23(30)14-12-21/h2-5,7-14H,6,15-19H2,1H3/p+1