N-(3-carbamimidoylphenyl)-2-[6-(1-ethanimidoylpiperidin-4-yl)oxy-1-oxidanylidene-3,4-dihydroisoquinolin-2-yl]ethanamide

Systemtic Name: N-(3-carbamimidoylphenyl)-2-[6-(1-ethanimidoylpiperidin-4-yl)oxy-1-oxidanylidene-3,4-dihydroisoquinolin-2-yl]ethanamide Openeye Name: N-(3-carbamimidoylphenyl)-2-[6-[(1-ethanimidoyl-4-piperidyl)oxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]acetamide CAS Name: N-(3-carbamimidoylphenyl)-2-[6-[[1-(1-iminoethyl)-4-piperidinyl]oxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]acetamide IUPAC Name: N-(3-carbamimidoylphenyl)-2-[6-(1-ethanimidoylpiperidin-4-yl)oxy-1-oxo-3,4-dihydroisoquinolin-2-yl]acetamide Traditional Name: 2-[6-[(1-acetimidoyl-4-piperidyl)oxy]-1-keto-3,4-dihydroisoquinolin-2-yl]-N-(3-amidinophenyl)acetamide Formula: C25H30N6O3 MolecularWeight: 462.5441

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)N1CCC(CC1)OC2=CC3=C(C=C2)C(=O)N(CC3)CC(=O)NC4=CC=CC(=C4)C(=N)N

Isomeric SMILES

CC(=N)N1CCC(CC1)OC2=CC3=C(C=C2)C(=O)N(CC3)CC(=O)NC4=CC=CC(=C4)C(=N)N

InChI

InChI=1S/C25H30N6O3/c1-16(26)30-11-8-20(9-12-30)34-21-5-6-22-17(14-21)7-10-31(25(22)33)15-23(32)29-19-4-2-3-18(13-19)24(27)28/h2-6,13-14,20,26H,7-12,15H2,1H3,(H3,27,28)(H,29,32)