5-(azepan-1-yl)-2-[5-[(4-chloranylphenoxy)methyl]furan-2-yl]-1,3-oxazole-4-carbonitrile

Systemtic Name: 5-(azepan-1-yl)-2-[5-[(4-chloranylphenoxy)methyl]furan-2-yl]-1,3-oxazole-4-carbonitrile Openeye Name: 5-(azepan-1-yl)-2-[5-[(4-chlorophenoxy)methyl]-2-furyl]oxazole-4-carbonitrile CAS Name: 5-(1-azepanyl)-2-[5-[(4-chlorophenoxy)methyl]-2-furanyl]-4-oxazolecarbonitrile IUPAC Name: 5-(azepan-1-yl)-2-[5-[(4-chlorophenoxy)methyl]furan-2-yl]-1,3-oxazole-4-carbonitrile Traditional Name: 5-(azepan-1-yl)-2-[5-[(4-chlorophenoxy)methyl]-2-furyl]oxazole-4-carbonitrile Formula: C21H20ClN3O3 MolecularWeight: 397.8548

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(N=C(O2)C3=CC=C(O3)COC4=CC=C(C=C4)Cl)C#N

Isomeric SMILES

C1CCCN(CC1)C2=C(N=C(O2)C3=CC=C(O3)COC4=CC=C(C=C4)Cl)C#N

InChI

InChI=1S/C21H20ClN3O3/c22-15-5-7-16(8-6-15)26-14-17-9-10-19(27-17)20-24-18(13-23)21(28-20)25-11-3-1-2-4-12-25/h5-10H,1-4,11-12,14H2