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

Systemtic Name: 5-(azepan-1-yl)-2-[(4-methylphenoxy)methyl]-1,3-oxazole-4-carbonitrile Openeye Name: 5-(azepan-1-yl)-2-[(4-methylphenoxy)methyl]oxazole-4-carbonitrile CAS Name: 5-(1-azepanyl)-2-[(4-methylphenoxy)methyl]-4-oxazolecarbonitrile IUPAC Name: 5-(azepan-1-yl)-2-[(4-methylphenoxy)methyl]-1,3-oxazole-4-carbonitrile Traditional Name: 5-(azepan-1-yl)-2-[(4-methylphenoxy)methyl]oxazole-4-carbonitrile Formula: C18H21N3O2 MolecularWeight: 311.37824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCC2=NC(=C(O2)N3CCCCCC3)C#N

Isomeric SMILES

CC1=CC=C(C=C1)OCC2=NC(=C(O2)N3CCCCCC3)C#N

InChI

InChI=1S/C18H21N3O2/c1-14-6-8-15(9-7-14)22-13-17-20-16(12-19)18(23-17)21-10-4-2-3-5-11-21/h6-9H,2-5,10-11,13H2,1H3