2-[2-[3-[4-(4-methoxybutyl)-3-oxidanylidene-1,4-benzoxazin-2-yl]propyl]phenyl]ethanenitrile

Systemtic Name: 2-[2-[3-[4-(4-methoxybutyl)-3-oxidanylidene-1,4-benzoxazin-2-yl]propyl]phenyl]ethanenitrile Openeye Name: 2-[2-[3-[4-(4-methoxybutyl)-3-oxo-1,4-benzoxazin-2-yl]propyl]phenyl]acetonitrile CAS Name: 2-[2-[3-[4-(4-methoxybutyl)-3-oxo-1,4-benzoxazin-2-yl]propyl]phenyl]acetonitrile IUPAC Name: 2-[2-[3-[4-(4-methoxybutyl)-3-oxo-1,4-benzoxazin-2-yl]propyl]phenyl]acetonitrile Traditional Name: 2-[2-[3-[3-keto-4-(4-methoxybutyl)-1,4-benzoxazin-2-yl]propyl]phenyl]acetonitrile Formula: C24H28N2O3 MolecularWeight: 392.49072

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Descriptors Computed from Structure

Canonical SMILES:

COCCCCN1C2=CC=CC=C2OC(C1=O)CCCC3=CC=CC=C3CC#N

Isomeric SMILES

COCCCCN1C2=CC=CC=C2OC(C1=O)CCCC3=CC=CC=C3CC#N

InChI

InChI=1S/C24H28N2O3/c1-28-18-7-6-17-26-21-12-4-5-13-22(21)29-23(24(26)27)14-8-11-19-9-2-3-10-20(19)15-16-25/h2-5,9-10,12-13,23H,6-8,11,14-15,17-18H2,1H3