2-[3-[3-chloranyl-5-[4-(phenylmethyl)piperazin-1-yl]carbonyl-phenoxy]propoxy]guanidine

Systemtic Name: 2-[3-[3-chloranyl-5-[4-(phenylmethyl)piperazin-1-yl]carbonyl-phenoxy]propoxy]guanidine Openeye Name: 2-[3-[3-(4-benzylpiperazine-1-carbonyl)-5-chloro-phenoxy]propoxy]guanidine CAS Name: 2-[3-[3-chloro-5-[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]phenoxy]propoxy]guanidine IUPAC Name: 2-[3-[3-(4-benzylpiperazine-1-carbonyl)-5-chlorophenoxy]propoxy]guanidine Traditional Name: 2-[3-[3-(4-benzylpiperazine-1-carbonyl)-5-chloro-phenoxy]propoxy]guanidine Formula: C22H28ClN5O3 MolecularWeight: 445.94242

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=CC(=CC(=C3)Cl)OCCCON=C(N)N

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=CC(=CC(=C3)Cl)OCCCON=C(N)N

InChI

InChI=1S/C22H28ClN5O3/c23-19-13-18(14-20(15-19)30-11-4-12-31-26-22(24)25)21(29)28-9-7-27(8-10-28)16-17-5-2-1-3-6-17/h1-3,5-6,13-15H,4,7-12,16H2,(H4,24,25,26)