5-(azepan-1-yl)-2-[(E)-2-(4-fluorophenyl)ethenyl]-1,3-oxazole-4-carbonitrile

Systemtic Name: 5-(azepan-1-yl)-2-[(E)-2-(4-fluorophenyl)ethenyl]-1,3-oxazole-4-carbonitrile Openeye Name: 5-(azepan-1-yl)-2-[(E)-2-(4-fluorophenyl)vinyl]oxazole-4-carbonitrile CAS Name: 5-(1-azepanyl)-2-[(E)-2-(4-fluorophenyl)ethenyl]-4-oxazolecarbonitrile IUPAC Name: 5-(azepan-1-yl)-2-[(E)-2-(4-fluorophenyl)ethenyl]-1,3-oxazole-4-carbonitrile Traditional Name: 5-(azepan-1-yl)-2-[(E)-2-(4-fluorophenyl)vinyl]oxazole-4-carbonitrile Formula: C18H18FN3O MolecularWeight: 311.353423

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(N=C(O2)C=CC3=CC=C(C=C3)F)C#N

Isomeric SMILES

C1CCCN(CC1)C2=C(N=C(O2)/C=C/C3=CC=C(C=C3)F)C#N

InChI

InChI=1S/C18H18FN3O/c19-15-8-5-14(6-9-15)7-10-17-21-16(13-20)18(23-17)22-11-3-1-2-4-12-22/h5-10H,1-4,11-12H2/b10-7+