3-[4-[4-[methyl(pyridin-2-yl)amino]butyl]-3-oxidanylidene-1,4-benzoxazin-2-yl]benzenecarboximidamide

Systemtic Name: 3-[4-[4-[methyl(pyridin-2-yl)amino]butyl]-3-oxidanylidene-1,4-benzoxazin-2-yl]benzenecarboximidamide Openeye Name: 3-[4-[4-[methyl(2-pyridyl)amino]butyl]-3-oxo-1,4-benzoxazin-2-yl]benzamidine CAS Name: 3-[4-[4-[methyl(2-pyridinyl)amino]butyl]-3-oxo-1,4-benzoxazin-2-yl]benzenecarboximidamide IUPAC Name: 3-[4-[4-[methyl(pyridin-2-yl)amino]butyl]-3-oxo-1,4-benzoxazin-2-yl]benzenecarboximidamide Traditional Name: 3-[3-keto-4-[4-[methyl(2-pyridyl)amino]butyl]-1,4-benzoxazin-2-yl]benzamidine Formula: C25H27N5O2 MolecularWeight: 429.51418

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCCN1C2=CC=CC=C2OC(C1=O)C3=CC=CC(=C3)C(=N)N)C4=CC=CC=N4

Isomeric SMILES

CN(CCCCN1C2=CC=CC=C2OC(C1=O)C3=CC=CC(=C3)C(=N)N)C4=CC=CC=N4

InChI

InChI=1S/C25H27N5O2/c1-29(22-13-4-5-14-28-22)15-6-7-16-30-20-11-2-3-12-21(20)32-23(25(30)31)18-9-8-10-19(17-18)24(26)27/h2-5,8-14,17,23H,6-7,15-16H2,1H3,(H3,26,27)