1-(cyclohexylmethyl)-3-[(E)-4-(4-pyridin-2-ylpiperazin-1-yl)but-1-enyl]benzimidazol-2-one

Systemtic Name: 1-(cyclohexylmethyl)-3-[(E)-4-(4-pyridin-2-ylpiperazin-1-yl)but-1-enyl]benzimidazol-2-one Openeye Name: 1-(cyclohexylmethyl)-3-[(E)-4-[4-(2-pyridyl)piperazin-1-yl]but-1-enyl]benzimidazol-2-one CAS Name: 1-(cyclohexylmethyl)-3-[(E)-4-[4-(2-pyridinyl)-1-piperazinyl]but-1-enyl]-2-benzimidazolone IUPAC Name: 1-(cyclohexylmethyl)-3-[(E)-4-(4-pyridin-2-ylpiperazin-1-yl)but-1-enyl]benzimidazol-2-one Traditional Name: 1-(cyclohexylmethyl)-3-[(E)-4-[4-(2-pyridyl)piperazino]but-1-enyl]benzimidazol-2-one Formula: C27H35N5O MolecularWeight: 445.5997

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CN2C3=CC=CC=C3N(C2=O)C=CCCN4CCN(CC4)C5=CC=CC=N5

Isomeric SMILES

C1CCC(CC1)CN2C3=CC=CC=C3N(C2=O)/C=C/CCN4CCN(CC4)C5=CC=CC=N5

InChI

InChI=1S/C27H35N5O/c33-27-31(24-12-4-5-13-25(24)32(27)22-23-10-2-1-3-11-23)17-9-8-16-29-18-20-30(21-19-29)26-14-6-7-15-28-26/h4-7,9,12-15,17,23H,1-3,8,10-11,16,18-22H2/b17-9+