5-[2-(3,4-dimethoxyphenyl)ethylamino]-2-(phenylmethyl)-1,3-oxazole-4-carbonitrile

Systemtic Name: 5-[2-(3,4-dimethoxyphenyl)ethylamino]-2-(phenylmethyl)-1,3-oxazole-4-carbonitrile Openeye Name: 2-benzyl-5-[2-(3,4-dimethoxyphenyl)ethylamino]oxazole-4-carbonitrile CAS Name: 5-[2-(3,4-dimethoxyphenyl)ethylamino]-2-(phenylmethyl)-4-oxazolecarbonitrile IUPAC Name: 2-benzyl-5-[2-(3,4-dimethoxyphenyl)ethylamino]-1,3-oxazole-4-carbonitrile Traditional Name: 2-benzyl-5-(homoveratrylamino)oxazole-4-carbonitrile Formula: C21H21N3O3 MolecularWeight: 363.40974

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC2=C(N=C(O2)CC3=CC=CC=C3)C#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC2=C(N=C(O2)CC3=CC=CC=C3)C#N)OC

InChI

InChI=1S/C21H21N3O3/c1-25-18-9-8-16(12-19(18)26-2)10-11-23-21-17(14-22)24-20(27-21)13-15-6-4-3-5-7-15/h3-9,12,23H,10-11,13H2,1-2H3