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

Systemtic Name: 2-[[7-(4-ethanimidoylcyclohexyl)oxy-3-oxidanylidene-1,4-benzoxazin-4-yl]methyl]-1-methyl-indole-6-carboximidamide Openeye Name: 2-[[7-(4-ethanimidoylcyclohexoxy)-3-oxo-1,4-benzoxazin-4-yl]methyl]-1-methyl-indole-6-carboxamidine CAS Name: 2-[[7-[4-(1-iminoethyl)cyclohexyl]oxy-3-oxo-1,4-benzoxazin-4-yl]methyl]-1-methyl-6-indolecarboximidamide IUPAC Name: 2-[[7-(4-ethanimidoylcyclohexyl)oxy-3-oxo-1,4-benzoxazin-4-yl]methyl]-1-methylindole-6-carboximidamide Traditional Name: 2-[[7-(4-acetimidoylcyclohexoxy)-3-keto-1,4-benzoxazin-4-yl]methyl]-1-methyl-indole-6-carboxamidine Formula: C27H31N5O3 MolecularWeight: 473.56674

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C1CCC(CC1)OC2=CC3=C(C=C2)N(C(=O)CO3)CC4=CC5=C(N4C)C=C(C=C5)C(=N)N

Isomeric SMILES

CC(=N)C1CCC(CC1)OC2=CC3=C(C=C2)N(C(=O)CO3)CC4=CC5=C(N4C)C=C(C=C5)C(=N)N

InChI

InChI=1S/C27H31N5O3/c1-16(28)17-5-7-21(8-6-17)35-22-9-10-23-25(13-22)34-15-26(33)32(23)14-20-11-18-3-4-19(27(29)30)12-24(18)31(20)2/h3-4,9-13,17,21,28H,5-8,14-15H2,1-2H3,(H3,29,30)