5-[[3-chloranyl-5-[4-(phenylmethyl)piperazin-1-yl]carbonyl-phenoxy]methyl]-1,2-oxazinane-2-carboximidamide

Systemtic Name: 5-[[3-chloranyl-5-[4-(phenylmethyl)piperazin-1-yl]carbonyl-phenoxy]methyl]-1,2-oxazinane-2-carboximidamide Openeye Name: 5-[[3-(4-benzylpiperazine-1-carbonyl)-5-chloro-phenoxy]methyl]oxazinane-2-carboxamidine CAS Name: 5-[[3-chloro-5-[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]phenoxy]methyl]-2-oxazinanecarboximidamide IUPAC Name: 5-[[3-(4-benzylpiperazine-1-carbonyl)-5-chlorophenoxy]methyl]oxazinane-2-carboximidamide Traditional Name: 5-[[3-(4-benzylpiperazine-1-carbonyl)-5-chloro-phenoxy]methyl]oxazinane-2-carboxamidine Formula: C24H30ClN5O3 MolecularWeight: 471.9797

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(OCC1COC2=CC(=CC(=C2)C(=O)N3CCN(CC3)CC4=CC=CC=C4)Cl)C(=N)N

Isomeric SMILES

C1CN(OCC1COC2=CC(=CC(=C2)C(=O)N3CCN(CC3)CC4=CC=CC=C4)Cl)C(=N)N

InChI

InChI=1S/C24H30ClN5O3/c25-21-12-20(13-22(14-21)32-16-19-6-7-30(24(26)27)33-17-19)23(31)29-10-8-28(9-11-29)15-18-4-2-1-3-5-18/h1-5,12-14,19H,6-11,15-17H2,(H3,26,27)