3-cyano-4-[4-(2-hydroxyethyl)piperazin-1-yl]-N-phenyl-benzimidazole-5-carboxamide

Systemtic Name: 3-cyano-4-[4-(2-hydroxyethyl)piperazin-1-yl]-N-phenyl-benzimidazole-5-carboxamide Openeye Name: 3-cyano-4-[4-(2-hydroxyethyl)piperazin-1-yl]-N-phenyl-benzimidazole-5-carboxamide CAS Name: 3-cyano-4-[4-(2-hydroxyethyl)-1-piperazinyl]-N-phenyl-5-benzimidazolecarboxamide IUPAC Name: 3-cyano-4-[4-(2-hydroxyethyl)piperazin-1-yl]-N-phenylbenzimidazole-5-carboxamide Traditional Name: 3-cyano-4-[4-(2-hydroxyethyl)piperazino]-N-phenyl-benzimidazole-5-carboxamide Formula: C21H22N6O2 MolecularWeight: 390.43838

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCO)C2=C(C=CC3=C2N(C=N3)C#N)C(=O)NC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1CCO)C2=C(C=CC3=C2N(C=N3)C#N)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C21H22N6O2/c22-14-27-15-23-18-7-6-17(21(29)24-16-4-2-1-3-5-16)19(20(18)27)26-10-8-25(9-11-26)12-13-28/h1-7,15,28H,8-13H2,(H,24,29)