N-[4-[2-ethyl-1-(1,2,4-triazol-1-yl)butyl]phenyl]-1,3-benzoxazol-2-amine

Systemtic Name: N-[4-[2-ethyl-1-(1,2,4-triazol-1-yl)butyl]phenyl]-1,3-benzoxazol-2-amine Openeye Name: N-[4-[2-ethyl-1-(1,2,4-triazol-1-yl)butyl]phenyl]-1,3-benzoxazol-2-amine CAS Name: N-[4-[2-ethyl-1-(1,2,4-triazol-1-yl)butyl]phenyl]-1,3-benzoxazol-2-amine IUPAC Name: N-[4-[2-ethyl-1-(1,2,4-triazol-1-yl)butyl]phenyl]-1,3-benzoxazol-2-amine Traditional Name: 1,3-benzoxazol-2-yl-[4-[2-ethyl-1-(1,2,4-triazol-1-yl)butyl]phenyl]amine Formula: C21H23N5O MolecularWeight: 361.44022

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(C1=CC=C(C=C1)NC2=NC3=CC=CC=C3O2)N4C=NC=N4

Isomeric SMILES

CCC(CC)C(C1=CC=C(C=C1)NC2=NC3=CC=CC=C3O2)N4C=NC=N4

InChI

InChI=1S/C21H23N5O/c1-3-15(4-2)20(26-14-22-13-23-26)16-9-11-17(12-10-16)24-21-25-18-7-5-6-8-19(18)27-21/h5-15,20H,3-4H2,1-2H3,(H,24,25)