3-[(2-tert-butyl-1,3-benzoxazol-5-yl)amino]azepan-2-one

Systemtic Name: 3-[(2-tert-butyl-1,3-benzoxazol-5-yl)amino]azepan-2-one Openeye Name: 3-[(2-tert-butyl-1,3-benzoxazol-5-yl)amino]azepan-2-one CAS Name: 3-[(2-tert-butyl-1,3-benzoxazol-5-yl)amino]-2-azepanone IUPAC Name: 3-[(2-tert-butyl-1,3-benzoxazol-5-yl)amino]azepan-2-one Traditional Name: 3-[(2-tert-butyl-1,3-benzoxazol-5-yl)amino]azepan-2-one Formula: C17H23N3O2 MolecularWeight: 301.38342

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC2=C(O1)C=CC(=C2)NC3CCCCNC3=O

Isomeric SMILES

CC(C)(C)C1=NC2=C(O1)C=CC(=C2)NC3CCCCNC3=O

InChI

InChI=1S/C17H23N3O2/c1-17(2,3)16-20-13-10-11(7-8-14(13)22-16)19-12-6-4-5-9-18-15(12)21/h7-8,10,12,19H,4-6,9H2,1-3H3,(H,18,21)