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

Systemtic Name: N-[(4-carbamimidoylphenyl)methyl]-2-[6-(1-carbamimidoylpiperidin-4-yl)oxy-1-oxidanylidene-3,4-dihydroisoquinolin-2-yl]ethanamide Openeye Name: N-[(4-carbamimidoylphenyl)methyl]-2-[6-[(1-carbamimidoyl-4-piperidyl)oxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]acetamide CAS Name: N-[(4-carbamimidoylphenyl)methyl]-2-[6-[(1-carbamimidoyl-4-piperidinyl)oxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]acetamide IUPAC Name: N-[(4-carbamimidoylphenyl)methyl]-2-[6-(1-carbamimidoylpiperidin-4-yl)oxy-1-oxo-3,4-dihydroisoquinolin-2-yl]acetamide Traditional Name: N-(4-amidinobenzyl)-2-[6-[(1-amidino-4-piperidyl)oxy]-1-keto-3,4-dihydroisoquinolin-2-yl]acetamide Formula: C25H31N7O3 MolecularWeight: 477.55874

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1OC2=CC3=C(C=C2)C(=O)N(CC3)CC(=O)NCC4=CC=C(C=C4)C(=N)N)C(=N)N

Isomeric SMILES

C1CN(CCC1OC2=CC3=C(C=C2)C(=O)N(CC3)CC(=O)NCC4=CC=C(C=C4)C(=N)N)C(=N)N

InChI

InChI=1S/C25H31N7O3/c26-23(27)17-3-1-16(2-4-17)14-30-22(33)15-32-10-7-18-13-20(5-6-21(18)24(32)34)35-19-8-11-31(12-9-19)25(28)29/h1-6,13,19H,7-12,14-15H2,(H3,26,27)(H3,28,29)(H,30,33)