5-[3-[(cyclopropylamino)methyl]phenyl]-N-(2,2-dimethylpropyl)-1,2-benzoxazol-3-amine

Systemtic Name: 5-[3-[(cyclopropylamino)methyl]phenyl]-N-(2,2-dimethylpropyl)-1,2-benzoxazol-3-amine Openeye Name: 5-[3-[(cyclopropylamino)methyl]phenyl]-N-(2,2-dimethylpropyl)-1,2-benzoxazol-3-amine CAS Name: 5-[3-[(cyclopropylamino)methyl]phenyl]-N-(2,2-dimethylpropyl)-1,2-benzoxazol-3-amine IUPAC Name: 5-[3-[(cyclopropylamino)methyl]phenyl]-N-(2,2-dimethylpropyl)-1,2-benzoxazol-3-amine Traditional Name: cyclopropyl-[3-[3-(neopentylamino)indoxazen-5-yl]benzyl]amine Formula: C22H27N3O MolecularWeight: 349.46928

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CNC1=NOC2=C1C=C(C=C2)C3=CC(=CC=C3)CNC4CC4

Isomeric SMILES

CC(C)(C)CNC1=NOC2=C1C=C(C=C2)C3=CC(=CC=C3)CNC4CC4

InChI

InChI=1S/C22H27N3O/c1-22(2,3)14-24-21-19-12-17(7-10-20(19)26-25-21)16-6-4-5-15(11-16)13-23-18-8-9-18/h4-7,10-12,18,23H,8-9,13-14H2,1-3H3,(H,24,25)