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

Systemtic Name: 4-[[2-[2-(3-carbamimidoylphenyl)ethyl]-1-oxidanylidene-3,4-dihydroisoquinolin-6-yl]oxy]piperidine-1-carboximidamide Openeye Name: 4-[[2-[2-(3-carbamimidoylphenyl)ethyl]-1-oxo-3,4-dihydroisoquinolin-6-yl]oxy]piperidine-1-carboxamidine CAS Name: 4-[[2-[2-(3-carbamimidoylphenyl)ethyl]-1-oxo-3,4-dihydroisoquinolin-6-yl]oxy]-1-piperidinecarboximidamide IUPAC Name: 4-[[2-[2-(3-carbamimidoylphenyl)ethyl]-1-oxo-3,4-dihydroisoquinolin-6-yl]oxy]piperidine-1-carboximidamide Traditional Name: 4-[[2-[2-(3-amidinophenyl)ethyl]-1-keto-3,4-dihydroisoquinolin-6-yl]oxy]piperidine-1-carboxamidine Formula: C24H30N6O2 MolecularWeight: 434.534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1OC2=CC3=C(C=C2)C(=O)N(CC3)CCC4=CC=CC(=C4)C(=N)N)C(=N)N

Isomeric SMILES

C1CN(CCC1OC2=CC3=C(C=C2)C(=O)N(CC3)CCC4=CC=CC(=C4)C(=N)N)C(=N)N

InChI

InChI=1S/C24H30N6O2/c25-22(26)18-3-1-2-16(14-18)6-10-29-11-7-17-15-20(4-5-21(17)23(29)31)32-19-8-12-30(13-9-19)24(27)28/h1-5,14-15,19H,6-13H2,(H3,25,26)(H3,27,28)