2-[(4-chloranyl-3-methyl-phenoxy)methyl]-5-(pyridin-4-ylmethylamino)-1,3-oxazole-4-carbonitrile

Systemtic Name: 2-[(4-chloranyl-3-methyl-phenoxy)methyl]-5-(pyridin-4-ylmethylamino)-1,3-oxazole-4-carbonitrile Openeye Name: 2-[(4-chloro-3-methyl-phenoxy)methyl]-5-(4-pyridylmethylamino)oxazole-4-carbonitrile CAS Name: 2-[(4-chloro-3-methylphenoxy)methyl]-5-(pyridin-4-ylmethylamino)-4-oxazolecarbonitrile IUPAC Name: 2-[(4-chloro-3-methylphenoxy)methyl]-5-(pyridin-4-ylmethylamino)-1,3-oxazole-4-carbonitrile Traditional Name: 2-[(4-chloro-3-methyl-phenoxy)methyl]-5-(4-pyridylmethylamino)oxazole-4-carbonitrile Formula: C18H15ClN4O2 MolecularWeight: 354.7903

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC2=NC(=C(O2)NCC3=CC=NC=C3)C#N)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OCC2=NC(=C(O2)NCC3=CC=NC=C3)C#N)Cl

InChI

InChI=1S/C18H15ClN4O2/c1-12-8-14(2-3-15(12)19)24-11-17-23-16(9-20)18(25-17)22-10-13-4-6-21-7-5-13/h2-8,22H,10-11H2,1H3