4-[[2-[(4-carbamimidoylphenyl)methyl]-1-oxidanylidene-3,4-dihydroisoquinolin-6-yl]oxy]piperidine-1-carboximidamide

Systemtic Name: 4-[[2-[(4-carbamimidoylphenyl)methyl]-1-oxidanylidene-3,4-dihydroisoquinolin-6-yl]oxy]piperidine-1-carboximidamide Openeye Name: 4-[[2-[(4-carbamimidoylphenyl)methyl]-1-oxo-3,4-dihydroisoquinolin-6-yl]oxy]piperidine-1-carboxamidine CAS Name: 4-[[2-[(4-carbamimidoylphenyl)methyl]-1-oxo-3,4-dihydroisoquinolin-6-yl]oxy]-1-piperidinecarboximidamide IUPAC Name: 4-[[2-[(4-carbamimidoylphenyl)methyl]-1-oxo-3,4-dihydroisoquinolin-6-yl]oxy]piperidine-1-carboximidamide Traditional Name: 4-[[2-(4-amidinobenzyl)-1-keto-3,4-dihydroisoquinolin-6-yl]oxy]piperidine-1-carboxamidine Formula: C23H28N6O2 MolecularWeight: 420.50742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1OC2=CC3=C(C=C2)C(=O)N(CC3)CC4=CC=C(C=C4)C(=N)N)C(=N)N

Isomeric SMILES

C1CN(CCC1OC2=CC3=C(C=C2)C(=O)N(CC3)CC4=CC=C(C=C4)C(=N)N)C(=N)N

InChI

InChI=1S/C23H28N6O2/c24-21(25)16-3-1-15(2-4-16)14-29-10-7-17-13-19(5-6-20(17)22(29)30)31-18-8-11-28(12-9-18)23(26)27/h1-6,13,18H,7-12,14H2,(H3,24,25)(H3,26,27)