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

Systemtic Name: N-[(4-carbamimidoylphenyl)methyl]-2-[6-(1-ethanimidoylpiperidin-4-yl)oxy-1-oxidanylidene-3,4-dihydroisoquinolin-2-yl]ethanamide Openeye Name: N-[(4-carbamimidoylphenyl)methyl]-2-[6-[(1-ethanimidoyl-4-piperidyl)oxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]acetamide CAS Name: N-[(4-carbamimidoylphenyl)methyl]-2-[6-[[1-(1-iminoethyl)-4-piperidinyl]oxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]acetamide IUPAC Name: N-[(4-carbamimidoylphenyl)methyl]-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-(4-amidinobenzyl)acetamide Formula: C26H32N6O3 MolecularWeight: 476.57068

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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)NCC4=CC=C(C=C4)C(=N)N

Isomeric SMILES

CC(=N)N1CCC(CC1)OC2=CC3=C(C=C2)C(=O)N(CC3)CC(=O)NCC4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C26H32N6O3/c1-17(27)31-12-9-21(10-13-31)35-22-6-7-23-20(14-22)8-11-32(26(23)34)16-24(33)30-15-18-2-4-19(5-3-18)25(28)29/h2-7,14,21,27H,8-13,15-16H2,1H3,(H3,28,29)(H,30,33)