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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCO)C2=C(C=C(C=C2)NC(=O)C3=CC4=C(C=C3)N=CN4)C#N

Isomeric SMILES

C1CN(CCN1CCO)C2=C(C=C(C=C2)NC(=O)C3=CC4=C(C=C3)N=CN4)C#N

InChI

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