1-(4-chlorophenyl)-2-[2-(piperidin-4-ylamino)benzimidazol-1-yl]ethanone dihydrate

Systemtic Name: 1-(4-chlorophenyl)-2-[2-(piperidin-4-ylamino)benzimidazol-1-yl]ethanone dihydrate Openeye Name: 1-(4-chlorophenyl)-2-[2-(4-piperidylamino)benzimidazol-1-yl]ethanone dihydrate CAS Name: 1-(4-chlorophenyl)-2-[2-(4-piperidinylamino)-1-benzimidazolyl]ethanone dihydrate IUPAC Name: 1-(4-chlorophenyl)-2-[2-(piperidin-4-ylamino)benzimidazol-1-yl]ethanone dihydrate Traditional Name: 1-(4-chlorophenyl)-2-[2-(4-piperidylamino)benzimidazol-1-yl]ethanone dihydrate Formula: C20H25ClN4O3 MolecularWeight: 404.8905

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1NC2=NC3=CC=CC=C3N2CC(=O)C4=CC=C(C=C4)Cl.O.O

Isomeric SMILES

C1CNCCC1NC2=NC3=CC=CC=C3N2CC(=O)C4=CC=C(C=C4)Cl.O.O

InChI

InChI=1S/C20H21ClN4O.2H2O/c21-15-7-5-14(6-8-15)19(26)13-25-18-4-2-1-3-17(18)24-20(25)23-16-9-11-22-12-10-16;;/h1-8,16,22H,9-13H2,(H,23,24);2*1H2