3H-benzimidazol-5-yl-[4-[(5-chloranyl-2-methoxy-phenyl)methyl]piperazin-1-yl]methanone

Systemtic Name: 3H-benzimidazol-5-yl-[4-[(5-chloranyl-2-methoxy-phenyl)methyl]piperazin-1-yl]methanone Openeye Name: 3H-benzimidazol-5-yl-[4-[(5-chloro-2-methoxy-phenyl)methyl]piperazin-1-yl]methanone CAS Name: 3H-benzimidazol-5-yl-[4-[(5-chloro-2-methoxyphenyl)methyl]-1-piperazinyl]methanone IUPAC Name: 3H-benzimidazol-5-yl-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]methanone Traditional Name: 3H-benzimidazol-5-yl-[4-(5-chloro-2-methoxy-benzyl)piperazino]methanone Formula: C20H21ClN4O2 MolecularWeight: 384.85934

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)CN2CCN(CC2)C(=O)C3=CC4=C(C=C3)N=CN4

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)CN2CCN(CC2)C(=O)C3=CC4=C(C=C3)N=CN4

InChI

InChI=1S/C20H21ClN4O2/c1-27-19-5-3-16(21)10-15(19)12-24-6-8-25(9-7-24)20(26)14-2-4-17-18(11-14)23-13-22-17/h2-5,10-11,13H,6-9,12H2,1H3,(H,22,23)