2-[[4-(3-fluorophenyl)carbonyl-1,4-diazepan-1-yl]methyl]isoindole-1,3-dione

Systemtic Name: 2-[[4-(3-fluorophenyl)carbonyl-1,4-diazepan-1-yl]methyl]isoindole-1,3-dione Openeye Name: 2-[[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]methyl]isoindoline-1,3-dione CAS Name: 2-[[4-[(3-fluorophenyl)-oxomethyl]-1,4-diazepan-1-yl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]methyl]isoindole-1,3-dione Traditional Name: 2-[[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]methyl]isoindoline-1,3-quinone Formula: C21H20FN3O3 MolecularWeight: 381.400203

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CC(=CC=C2)F)CN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CC(=CC=C2)F)CN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C21H20FN3O3/c22-16-6-3-5-15(13-16)19(26)24-10-4-9-23(11-12-24)14-25-20(27)17-7-1-2-8-18(17)21(25)28/h1-3,5-8,13H,4,9-12,14H2