2-(dodec-7-ynylamino)-6-methyl-3,1-benzoxazin-4-one

Systemtic Name: 2-(dodec-7-ynylamino)-6-methyl-3,1-benzoxazin-4-one Openeye Name: 2-(dodec-7-ynylamino)-6-methyl-3,1-benzoxazin-4-one CAS Name: 2-(dodec-7-ynylamino)-6-methyl-3,1-benzoxazin-4-one IUPAC Name: 2-(dodec-7-ynylamino)-6-methyl-3,1-benzoxazin-4-one Traditional Name: 2-(dodec-7-ynylamino)-6-methyl-3,1-benzoxazin-4-one Formula: C21H28N2O2 MolecularWeight: 340.45922

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC#CCCCCCCNC1=NC2=C(C=C(C=C2)C)C(=O)O1

Isomeric SMILES

CCCCC#CCCCCCCNC1=NC2=C(C=C(C=C2)C)C(=O)O1

InChI

InChI=1S/C21H28N2O2/c1-3-4-5-6-7-8-9-10-11-12-15-22-21-23-19-14-13-17(2)16-18(19)20(24)25-21/h13-14,16H,3-5,8-12,15H2,1-2H3,(H,22,23)