3-[(Z)-3-[6-(1-ethanimidoylpiperidin-4-yl)oxy-2-oxidanylidene-4H-3,1-benzoxazin-1-yl]prop-1-enyl]benzenecarboximidamide

Systemtic Name: 3-[(Z)-3-[6-(1-ethanimidoylpiperidin-4-yl)oxy-2-oxidanylidene-4H-3,1-benzoxazin-1-yl]prop-1-enyl]benzenecarboximidamide Openeye Name: 3-[(Z)-3-[6-[(1-ethanimidoyl-4-piperidyl)oxy]-2-oxo-4H-3,1-benzoxazin-1-yl]prop-1-enyl]benzamidine CAS Name: 3-[(Z)-3-[6-[[1-(1-iminoethyl)-4-piperidinyl]oxy]-2-oxo-4H-3,1-benzoxazin-1-yl]prop-1-enyl]benzenecarboximidamide IUPAC Name: 3-[(Z)-3-[6-(1-ethanimidoylpiperidin-4-yl)oxy-2-oxo-4H-3,1-benzoxazin-1-yl]prop-1-enyl]benzenecarboximidamide Traditional Name: 3-[(Z)-3-[6-[(1-acetimidoyl-4-piperidyl)oxy]-2-keto-4H-3,1-benzoxazin-1-yl]prop-1-enyl]benzamidine Formula: C25H29N5O3 MolecularWeight: 447.52946

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)N1CCC(CC1)OC2=CC3=C(C=C2)N(C(=O)OC3)CC=CC4=CC(=CC=C4)C(=N)N

Isomeric SMILES

CC(=N)N1CCC(CC1)OC2=CC3=C(C=C2)N(C(=O)OC3)C/C=C\C4=CC(=CC=C4)C(=N)N

InChI

InChI=1S/C25H29N5O3/c1-17(26)29-12-9-21(10-13-29)33-22-7-8-23-20(15-22)16-32-25(31)30(23)11-3-5-18-4-2-6-19(14-18)24(27)28/h2-8,14-15,21,26H,9-13,16H2,1H3,(H3,27,28)/b5-3-,26-17?