3-[2-[6-(1-ethanimidoylpiperidin-4-yl)oxy-1-oxidanylidene-3,4-dihydroisoquinolin-2-yl]ethyl]benzenecarboximidamide

Systemtic Name: 3-[2-[6-(1-ethanimidoylpiperidin-4-yl)oxy-1-oxidanylidene-3,4-dihydroisoquinolin-2-yl]ethyl]benzenecarboximidamide Openeye Name: 3-[2-[6-[(1-ethanimidoyl-4-piperidyl)oxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]ethyl]benzamidine CAS Name: 3-[2-[6-[[1-(1-iminoethyl)-4-piperidinyl]oxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]ethyl]benzenecarboximidamide IUPAC Name: 3-[2-[6-(1-ethanimidoylpiperidin-4-yl)oxy-1-oxo-3,4-dihydroisoquinolin-2-yl]ethyl]benzenecarboximidamide Traditional Name: 3-[2-[6-[(1-acetimidoyl-4-piperidyl)oxy]-1-keto-3,4-dihydroisoquinolin-2-yl]ethyl]benzamidine Formula: C25H31N5O2 MolecularWeight: 433.54594

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)N1CCC(CC1)OC2=CC3=C(C=C2)C(=O)N(CC3)CCC4=CC=CC(=C4)C(=N)N

Isomeric SMILES

CC(=N)N1CCC(CC1)OC2=CC3=C(C=C2)C(=O)N(CC3)CCC4=CC=CC(=C4)C(=N)N

InChI

InChI=1S/C25H31N5O2/c1-17(26)29-13-9-21(10-14-29)32-22-5-6-23-19(16-22)8-12-30(25(23)31)11-7-18-3-2-4-20(15-18)24(27)28/h2-6,15-16,21,26H,7-14H2,1H3,(H3,27,28)