6-(2-fluoranylethyl)-8-[4-[(1-phenylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]quinoline

Systemtic Name: 6-(2-fluoranylethyl)-8-[4-[(1-phenylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]quinoline Openeye Name: 6-(2-fluoroethyl)-8-[4-[(1-phenylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]quinoline CAS Name: 6-(2-fluoroethyl)-8-[4-[(1-phenyl-3-pyrazolyl)methyl]-1,4-diazepan-1-yl]quinoline IUPAC Name: 6-(2-fluoroethyl)-8-[4-[(1-phenylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]quinoline Traditional Name: 6-(2-fluoroethyl)-8-[4-[(1-phenylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]quinoline Formula: C26H28FN5 MolecularWeight: 429.532423

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C2=C3C(=CC(=C2)CCF)C=CC=N3)CC4=NN(C=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN(C1)C2=C3C(=CC(=C2)CCF)C=CC=N3)CC4=NN(C=C4)C5=CC=CC=C5

InChI

InChI=1S/C26H28FN5/c27-11-9-21-18-22-6-4-12-28-26(22)25(19-21)31-14-5-13-30(16-17-31)20-23-10-15-32(29-23)24-7-2-1-3-8-24/h1-4,6-8,10,12,15,18-19H,5,9,11,13-14,16-17,20H2