8-[4-[(4-fluoranyl-1-phenyl-pyrazol-3-yl)methyl]-1,4-diazepan-1-yl]-6-propan-2-yl-quinoline

Systemtic Name: 8-[4-[(4-fluoranyl-1-phenyl-pyrazol-3-yl)methyl]-1,4-diazepan-1-yl]-6-propan-2-yl-quinoline Openeye Name: 8-[4-[(4-fluoro-1-phenyl-pyrazol-3-yl)methyl]-1,4-diazepan-1-yl]-6-isopropyl-quinoline CAS Name: 8-[4-[(4-fluoro-1-phenyl-3-pyrazolyl)methyl]-1,4-diazepan-1-yl]-6-propan-2-ylquinoline IUPAC Name: 8-[4-[(4-fluoro-1-phenylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]-6-propan-2-ylquinoline Traditional Name: 8-[4-[(4-fluoro-1-phenyl-pyrazol-3-yl)methyl]-1,4-diazepan-1-yl]-6-isopropyl-quinoline Formula: C27H30FN5 MolecularWeight: 443.559003

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=C2C(=C1)C=CC=N2)N3CCCN(CC3)CC4=NN(C=C4F)C5=CC=CC=C5

Isomeric SMILES

CC(C)C1=CC(=C2C(=C1)C=CC=N2)N3CCCN(CC3)CC4=NN(C=C4F)C5=CC=CC=C5

InChI

InChI=1S/C27H30FN5/c1-20(2)22-16-21-8-6-11-29-27(21)26(17-22)32-13-7-12-31(14-15-32)19-25-24(28)18-33(30-25)23-9-4-3-5-10-23/h3-6,8-11,16-18,20H,7,12-15,19H2,1-2H3