3-[4-(5-azanylpentyl)-3-oxidanylidene-1,4-benzoxazin-2-yl]benzenecarbonitrile

Systemtic Name: 3-[4-(5-azanylpentyl)-3-oxidanylidene-1,4-benzoxazin-2-yl]benzenecarbonitrile Openeye Name: 3-[4-(5-aminopentyl)-3-oxo-1,4-benzoxazin-2-yl]benzonitrile CAS Name: 3-[4-(5-aminopentyl)-3-oxo-1,4-benzoxazin-2-yl]benzonitrile IUPAC Name: 3-[4-(5-aminopentyl)-3-oxo-1,4-benzoxazin-2-yl]benzonitrile Traditional Name: 3-[4-(5-aminopentyl)-3-keto-1,4-benzoxazin-2-yl]benzonitrile Formula: C20H21N3O2 MolecularWeight: 335.39964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C(=O)C(O2)C3=CC=CC(=C3)C#N)CCCCCN

Isomeric SMILES

C1=CC=C2C(=C1)N(C(=O)C(O2)C3=CC=CC(=C3)C#N)CCCCCN

InChI

InChI=1S/C20H21N3O2/c21-11-4-1-5-12-23-17-9-2-3-10-18(17)25-19(20(23)24)16-8-6-7-15(13-16)14-22/h2-3,6-10,13,19H,1,4-5,11-12,21H2