4-[[5-(4-chloranyl-1-cyclopentyl-1-oxidanylidene-butan-2-yl)-1-methyl-benzimidazol-2-yl]methylamino]benzenecarboximidamide

Systemtic Name: 4-[[5-(4-chloranyl-1-cyclopentyl-1-oxidanylidene-butan-2-yl)-1-methyl-benzimidazol-2-yl]methylamino]benzenecarboximidamide Openeye Name: 4-[[5-[3-chloro-1-(cyclopentanecarbonyl)propyl]-1-methyl-benzimidazol-2-yl]methylamino]benzamidine CAS Name: 4-[[5-(4-chloro-1-cyclopentyl-1-oxobutan-2-yl)-1-methyl-2-benzimidazolyl]methylamino]benzenecarboximidamide IUPAC Name: 4-[[5-(4-chloro-1-cyclopentyl-1-oxobutan-2-yl)-1-methylbenzimidazol-2-yl]methylamino]benzenecarboximidamide Traditional Name: 4-[[5-[3-chloro-1-(cyclopentanecarbonyl)propyl]-1-methyl-benzimidazol-2-yl]methylamino]benzamidine Formula: C25H30ClN5O MolecularWeight: 451.9916

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C(CCCl)C(=O)C3CCCC3)N=C1CNC4=CC=C(C=C4)C(=N)N

Isomeric SMILES

CN1C2=C(C=C(C=C2)C(CCCl)C(=O)C3CCCC3)N=C1CNC4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C25H30ClN5O/c1-31-22-11-8-18(20(12-13-26)24(32)16-4-2-3-5-16)14-21(22)30-23(31)15-29-19-9-6-17(7-10-19)25(27)28/h6-11,14,16,20,29H,2-5,12-13,15H2,1H3,(H3,27,28)