4-[2-[2-[ethyl(propan-2-yl)amino]ethyl]-1,3-benzoxazol-5-yl]benzenecarbonitrile

Systemtic Name: 4-[2-[2-[ethyl(propan-2-yl)amino]ethyl]-1,3-benzoxazol-5-yl]benzenecarbonitrile Openeye Name: 4-[2-[2-[ethyl(isopropyl)amino]ethyl]-1,3-benzoxazol-5-yl]benzonitrile CAS Name: 4-[2-[2-[ethyl(propan-2-yl)amino]ethyl]-1,3-benzoxazol-5-yl]benzonitrile IUPAC Name: 4-[2-[2-[ethyl(propan-2-yl)amino]ethyl]-1,3-benzoxazol-5-yl]benzonitrile Traditional Name: 4-[2-[2-[ethyl(isopropyl)amino]ethyl]-1,3-benzoxazol-5-yl]benzonitrile Formula: C21H23N3O MolecularWeight: 333.42682

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCC1=NC2=C(O1)C=CC(=C2)C3=CC=C(C=C3)C#N)C(C)C

Isomeric SMILES

CCN(CCC1=NC2=C(O1)C=CC(=C2)C3=CC=C(C=C3)C#N)C(C)C

InChI

InChI=1S/C21H23N3O/c1-4-24(15(2)3)12-11-21-23-19-13-18(9-10-20(19)25-21)17-7-5-16(14-22)6-8-17/h5-10,13,15H,4,11-12H2,1-3H3