[4-[(4-fluorophenyl)methyl]-1,4-diazepan-4-ium-1-yl]-(1-phenylpyrazol-4-yl)methanone

Systemtic Name: [4-[(4-fluorophenyl)methyl]-1,4-diazepan-4-ium-1-yl]-(1-phenylpyrazol-4-yl)methanone Openeye Name: [4-[(4-fluorophenyl)methyl]-1,4-diazepan-4-ium-1-yl]-(1-phenylpyrazol-4-yl)methanone CAS Name: [4-[(4-fluorophenyl)methyl]-1,4-diazepan-4-ium-1-yl]-(1-phenyl-4-pyrazolyl)methanone IUPAC Name: [4-[(4-fluorophenyl)methyl]-1,4-diazepan-4-ium-1-yl]-(1-phenylpyrazol-4-yl)methanone Traditional Name: [4-(4-fluorobenzyl)-1,4-diazepan-4-ium-1-yl]-(1-phenylpyrazol-4-yl)methanone Formula: C22H24FN4O+ MolecularWeight: 379.450563

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN(C1)C(=O)C2=CN(N=C2)C3=CC=CC=C3)CC4=CC=C(C=C4)F

Isomeric SMILES

C1C[NH+](CCN(C1)C(=O)C2=CN(N=C2)C3=CC=CC=C3)CC4=CC=C(C=C4)F

InChI

InChI=1S/C22H23FN4O/c23-20-9-7-18(8-10-20)16-25-11-4-12-26(14-13-25)22(28)19-15-24-27(17-19)21-5-2-1-3-6-21/h1-3,5-10,15,17H,4,11-14,16H2/p+1