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

Systemtic Name: 3-[3-[[7-(1-ethanimidoylpiperidin-4-yl)oxy-3-oxidanylidene-1,4-benzoxazin-4-yl]methyl]phenyl]benzenecarboximidamide Openeye Name: 3-[3-[[7-[(1-ethanimidoyl-4-piperidyl)oxy]-3-oxo-1,4-benzoxazin-4-yl]methyl]phenyl]benzamidine CAS Name: 3-[3-[[7-[[1-(1-iminoethyl)-4-piperidinyl]oxy]-3-oxo-1,4-benzoxazin-4-yl]methyl]phenyl]benzenecarboximidamide IUPAC Name: 3-[3-[[7-(1-ethanimidoylpiperidin-4-yl)oxy-3-oxo-1,4-benzoxazin-4-yl]methyl]phenyl]benzenecarboximidamide Traditional Name: 3-[3-[[7-[(1-acetimidoyl-4-piperidyl)oxy]-3-keto-1,4-benzoxazin-4-yl]methyl]phenyl]benzamidine Formula: C29H31N5O3 MolecularWeight: 497.58814

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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=CC(=C4)C5=CC(=CC=C5)C(=N)N

Isomeric SMILES

CC(=N)N1CCC(CC1)OC2=CC3=C(C=C2)N(C(=O)CO3)CC4=CC=CC(=C4)C5=CC(=CC=C5)C(=N)N

InChI

InChI=1S/C29H31N5O3/c1-19(30)33-12-10-24(11-13-33)37-25-8-9-26-27(16-25)36-18-28(35)34(26)17-20-4-2-5-21(14-20)22-6-3-7-23(15-22)29(31)32/h2-9,14-16,24,30H,10-13,17-18H2,1H3,(H3,31,32)