4-[2-(1H-imidazol-5-yl)-2-piperazin-1-yl-ethyl]benzenecarbonitrile; 3-oxidanylcyclohexane-1-carboxamide

Systemtic Name: 4-[2-(1H-imidazol-5-yl)-2-piperazin-1-yl-ethyl]benzenecarbonitrile; 3-oxidanylcyclohexane-1-carboxamide Openeye Name: 3-hydroxycyclohexanecarboxamide; 4-[2-(1H-imidazol-5-yl)-2-piperazin-1-yl-ethyl]benzonitrile CAS Name: 3-hydroxy-1-cyclohexanecarboxamide; 4-[2-(1H-imidazol-5-yl)-2-(1-piperazinyl)ethyl]benzonitrile IUPAC Name: 3-hydroxycyclohexane-1-carboxamide; 4-[2-(1H-imidazol-5-yl)-2-piperazin-1-ylethyl]benzonitrile Traditional Name: 3-hydroxycyclohexanecarboxamide; 4-[2-(1H-imidazol-5-yl)-2-piperazino-ethyl]benzonitrile Formula: C23H32N6O2 MolecularWeight: 424.53918

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC(C1)O)C(=O)N.C1CN(CCN1)C(CC2=CC=C(C=C2)C#N)C3=CN=CN3

Isomeric SMILES

C1CC(CC(C1)O)C(=O)N.C1CN(CCN1)C(CC2=CC=C(C=C2)C#N)C3=CN=CN3

InChI

InChI=1S/C16H19N5.C7H13NO2/c17-10-14-3-1-13(2-4-14)9-16(15-11-19-12-20-15)21-7-5-18-6-8-21;8-7(10)5-2-1-3-6(9)4-5/h1-4,11-12,16,18H,5-9H2,(H,19,20);5-6,9H,1-4H2,(H2,8,10)