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

Systemtic Name: 5-[2-(3,4-dimethoxyphenyl)ethylamino]-2-(naphthalen-1-ylmethyl)-1,3-oxazole-4-carbonitrile Openeye Name: 5-[2-(3,4-dimethoxyphenyl)ethylamino]-2-(1-naphthylmethyl)oxazole-4-carbonitrile CAS Name: 5-[2-(3,4-dimethoxyphenyl)ethylamino]-2-(1-naphthalenylmethyl)-4-oxazolecarbonitrile IUPAC Name: 5-[2-(3,4-dimethoxyphenyl)ethylamino]-2-(naphthalen-1-ylmethyl)-1,3-oxazole-4-carbonitrile Traditional Name: 5-(homoveratrylamino)-2-(1-naphthylmethyl)oxazole-4-carbonitrile Formula: C25H23N3O3 MolecularWeight: 413.46842

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC2=C(N=C(O2)CC3=CC=CC4=CC=CC=C43)C#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC2=C(N=C(O2)CC3=CC=CC4=CC=CC=C43)C#N)OC

InChI

InChI=1S/C25H23N3O3/c1-29-22-11-10-17(14-23(22)30-2)12-13-27-25-21(16-26)28-24(31-25)15-19-8-5-7-18-6-3-4-9-20(18)19/h3-11,14,27H,12-13,15H2,1-2H3