2-[3-[3-(azepan-1-ylcarbonyl)-5-chloranyl-phenoxy]propoxy]guanidine

Systemtic Name: 2-[3-[3-(azepan-1-ylcarbonyl)-5-chloranyl-phenoxy]propoxy]guanidine Openeye Name: 2-[3-[3-(azepane-1-carbonyl)-5-chloro-phenoxy]propoxy]guanidine CAS Name: 2-[3-[3-[1-azepanyl(oxo)methyl]-5-chlorophenoxy]propoxy]guanidine IUPAC Name: 2-[3-[3-(azepane-1-carbonyl)-5-chlorophenoxy]propoxy]guanidine Traditional Name: 2-[3-[3-(azepane-1-carbonyl)-5-chloro-phenoxy]propoxy]guanidine Formula: C17H25ClN4O3 MolecularWeight: 368.8584

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=CC(=CC(=C2)Cl)OCCCON=C(N)N

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=CC(=CC(=C2)Cl)OCCCON=C(N)N

InChI

InChI=1S/C17H25ClN4O3/c18-14-10-13(16(23)22-6-3-1-2-4-7-22)11-15(12-14)24-8-5-9-25-21-17(19)20/h10-12H,1-9H2,(H4,19,20,21)