6-chloranyl-2-[[4-(3-fluorophenyl)carbonyl-1,4-diazepan-1-ium-1-yl]methyl]-1H-quinazolin-4-one

Systemtic Name: 6-chloranyl-2-[[4-(3-fluorophenyl)carbonyl-1,4-diazepan-1-ium-1-yl]methyl]-1H-quinazolin-4-one Openeye Name: 6-chloro-2-[[4-(3-fluorobenzoyl)-1,4-diazepan-1-ium-1-yl]methyl]-1H-quinazolin-4-one CAS Name: 6-chloro-2-[[4-[(3-fluorophenyl)-oxomethyl]-1,4-diazepan-1-ium-1-yl]methyl]-1H-quinazolin-4-one IUPAC Name: 6-chloro-2-[[4-(3-fluorobenzoyl)-1,4-diazepan-1-ium-1-yl]methyl]-1H-quinazolin-4-one Traditional Name: 6-chloro-2-[[4-(3-fluorobenzoyl)-1,4-diazepan-1-ium-1-yl]methyl]-1H-quinazolin-4-one Formula: C21H21ClFN4O2+ MolecularWeight: 415.868443

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN(C1)C(=O)C2=CC(=CC=C2)F)CC3=NC(=O)C4=C(N3)C=CC(=C4)Cl

Isomeric SMILES

C1C[NH+](CCN(C1)C(=O)C2=CC(=CC=C2)F)CC3=NC(=O)C4=C(N3)C=CC(=C4)Cl

InChI

InChI=1S/C21H20ClFN4O2/c22-15-5-6-18-17(12-15)20(28)25-19(24-18)13-26-7-2-8-27(10-9-26)21(29)14-3-1-4-16(23)11-14/h1,3-6,11-12H,2,7-10,13H2,(H,24,25,28)/p+1