2-[[7-(1-ethanimidoylpiperidin-4-yl)oxy-3-oxidanylidene-1,4-benzoxazin-4-yl]methyl]-1-ethyl-indole-6-carboximidamide

Systemtic Name: 2-[[7-(1-ethanimidoylpiperidin-4-yl)oxy-3-oxidanylidene-1,4-benzoxazin-4-yl]methyl]-1-ethyl-indole-6-carboximidamide Openeye Name: 2-[[7-[(1-ethanimidoyl-4-piperidyl)oxy]-3-oxo-1,4-benzoxazin-4-yl]methyl]-1-ethyl-indole-6-carboxamidine CAS Name: 1-ethyl-2-[[7-[[1-(1-iminoethyl)-4-piperidinyl]oxy]-3-oxo-1,4-benzoxazin-4-yl]methyl]-6-indolecarboximidamide IUPAC Name: 2-[[7-(1-ethanimidoylpiperidin-4-yl)oxy-3-oxo-1,4-benzoxazin-4-yl]methyl]-1-ethylindole-6-carboximidamide Traditional Name: 2-[[7-[(1-acetimidoyl-4-piperidyl)oxy]-3-keto-1,4-benzoxazin-4-yl]methyl]-1-ethyl-indole-6-carboxamidine Formula: C27H32N6O3 MolecularWeight: 488.58138

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC2=C1C=C(C=C2)C(=N)N)CN3C(=O)COC4=C3C=CC(=C4)OC5CCN(CC5)C(=N)C

Isomeric SMILES

CCN1C(=CC2=C1C=C(C=C2)C(=N)N)CN3C(=O)COC4=C3C=CC(=C4)OC5CCN(CC5)C(=N)C

InChI

InChI=1S/C27H32N6O3/c1-3-32-20(12-18-4-5-19(27(29)30)13-24(18)32)15-33-23-7-6-22(14-25(23)35-16-26(33)34)36-21-8-10-31(11-9-21)17(2)28/h4-7,12-14,21,28H,3,8-11,15-16H2,1-2H3,(H3,29,30)