2-(4-tert-butylphenyl)-5-[(phenylmethyl)amino]-1,3-oxazole-4-carbonitrile

Systemtic Name: 2-(4-tert-butylphenyl)-5-[(phenylmethyl)amino]-1,3-oxazole-4-carbonitrile Openeye Name: 5-(benzylamino)-2-(4-tert-butylphenyl)oxazole-4-carbonitrile CAS Name: 2-(4-tert-butylphenyl)-5-[(phenylmethyl)amino]-4-oxazolecarbonitrile IUPAC Name: 5-(benzylamino)-2-(4-tert-butylphenyl)-1,3-oxazole-4-carbonitrile Traditional Name: 5-(benzylamino)-2-(4-tert-butylphenyl)oxazole-4-carbonitrile Formula: C21H21N3O MolecularWeight: 331.41094

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NC(=C(O2)NCC3=CC=CC=C3)C#N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NC(=C(O2)NCC3=CC=CC=C3)C#N

InChI

InChI=1S/C21H21N3O/c1-21(2,3)17-11-9-16(10-12-17)19-24-18(13-22)20(25-19)23-14-15-7-5-4-6-8-15/h4-12,23H,14H2,1-3H3