2-[3-[3-chloranyl-5-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)phenoxy]propoxy]guanidine

Systemtic Name: 2-[3-[3-chloranyl-5-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)phenoxy]propoxy]guanidine Openeye Name: 2-[3-[3-chloro-5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenoxy]propoxy]guanidine CAS Name: 2-[3-[3-chloro-5-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]phenoxy]propoxy]guanidine IUPAC Name: 2-[3-[3-chloro-5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenoxy]propoxy]guanidine Traditional Name: 2-[3-[3-chloro-5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenoxy]propoxy]guanidine Formula: C20H23ClN4O3 MolecularWeight: 402.87462

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)C3=CC(=CC(=C3)Cl)OCCCON=C(N)N

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)C3=CC(=CC(=C3)Cl)OCCCON=C(N)N

InChI

InChI=1S/C20H23ClN4O3/c21-17-10-16(11-18(12-17)27-8-3-9-28-24-20(22)23)19(26)25-7-6-14-4-1-2-5-15(14)13-25/h1-2,4-5,10-12H,3,6-9,13H2,(H4,22,23,24)