3-[5-[[7-(1-ethanimidoylpiperidin-4-yl)oxy-3-oxidanylidene-1,4-benzoxazin-4-yl]methyl]-1,2-oxazol-3-yl]benzenecarboximidamide

Systemtic Name: 3-[5-[[7-(1-ethanimidoylpiperidin-4-yl)oxy-3-oxidanylidene-1,4-benzoxazin-4-yl]methyl]-1,2-oxazol-3-yl]benzenecarboximidamide Openeye Name: 3-[5-[[7-[(1-ethanimidoyl-4-piperidyl)oxy]-3-oxo-1,4-benzoxazin-4-yl]methyl]isoxazol-3-yl]benzamidine CAS Name: 3-[5-[[7-[[1-(1-iminoethyl)-4-piperidinyl]oxy]-3-oxo-1,4-benzoxazin-4-yl]methyl]-3-isoxazolyl]benzenecarboximidamide IUPAC Name: 3-[5-[[7-(1-ethanimidoylpiperidin-4-yl)oxy-3-oxo-1,4-benzoxazin-4-yl]methyl]-1,2-oxazol-3-yl]benzenecarboximidamide Traditional Name: 3-[5-[[7-[(1-acetimidoyl-4-piperidyl)oxy]-3-keto-1,4-benzoxazin-4-yl]methyl]isoxazol-3-yl]benzamidine Formula: C26H28N6O4 MolecularWeight: 488.53832

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)N1CCC(CC1)OC2=CC3=C(C=C2)N(C(=O)CO3)CC4=CC(=NO4)C5=CC(=CC=C5)C(=N)N

Isomeric SMILES

CC(=N)N1CCC(CC1)OC2=CC3=C(C=C2)N(C(=O)CO3)CC4=CC(=NO4)C5=CC(=CC=C5)C(=N)N

InChI

InChI=1S/C26H28N6O4/c1-16(27)31-9-7-19(8-10-31)35-20-5-6-23-24(13-20)34-15-25(33)32(23)14-21-12-22(30-36-21)17-3-2-4-18(11-17)26(28)29/h2-6,11-13,19,27H,7-10,14-15H2,1H3,(H3,28,29)