4-(3-bromophenyl)-3-heptan-3-yl-1,2-oxazol-5-amine

Systemtic Name: 4-(3-bromophenyl)-3-heptan-3-yl-1,2-oxazol-5-amine Openeye Name: 4-(3-bromophenyl)-3-(1-ethylpentyl)isoxazol-5-amine CAS Name: 4-(3-bromophenyl)-3-heptan-3-yl-5-isoxazolamine IUPAC Name: 4-(3-bromophenyl)-3-heptan-3-yl-1,2-oxazol-5-amine Traditional Name: [4-(3-bromophenyl)-3-(1-ethylpentyl)isoxazol-5-yl]amine Formula: C16H21BrN2O MolecularWeight: 337.25474

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C1=NOC(=C1C2=CC(=CC=C2)Br)N

Isomeric SMILES

CCCCC(CC)C1=NOC(=C1C2=CC(=CC=C2)Br)N

InChI

InChI=1S/C16H21BrN2O/c1-3-5-7-11(4-2)15-14(16(18)20-19-15)12-8-6-9-13(17)10-12/h6,8-11H,3-5,7,18H2,1-2H3