3-[4-[5-(methylamino)pentyl]-3-oxidanylidene-1,4-benzoxazin-2-yl]benzenecarboximidamide

Systemtic Name: 3-[4-[5-(methylamino)pentyl]-3-oxidanylidene-1,4-benzoxazin-2-yl]benzenecarboximidamide Openeye Name: 3-[4-[5-(methylamino)pentyl]-3-oxo-1,4-benzoxazin-2-yl]benzamidine CAS Name: 3-[4-[5-(methylamino)pentyl]-3-oxo-1,4-benzoxazin-2-yl]benzenecarboximidamide IUPAC Name: 3-[4-[5-(methylamino)pentyl]-3-oxo-1,4-benzoxazin-2-yl]benzenecarboximidamide Traditional Name: 3-[3-keto-4-[5-(methylamino)pentyl]-1,4-benzoxazin-2-yl]benzamidine Formula: C21H26N4O2 MolecularWeight: 366.45674

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNCCCCCN1C2=CC=CC=C2OC(C1=O)C3=CC=CC(=C3)C(=N)N

Isomeric SMILES

CNCCCCCN1C2=CC=CC=C2OC(C1=O)C3=CC=CC(=C3)C(=N)N

InChI

InChI=1S/C21H26N4O2/c1-24-12-5-2-6-13-25-17-10-3-4-11-18(17)27-19(21(25)26)15-8-7-9-16(14-15)20(22)23/h3-4,7-11,14,19,24H,2,5-6,12-13H2,1H3,(H3,22,23)