2-[4-[3-(cyclohexylmethyl)-2-oxidanylidene-6-phenylazanyl-1H-benzimidazol-5-yl]piperazin-1-yl]ethanoate

Systemtic Name: 2-[4-[3-(cyclohexylmethyl)-2-oxidanylidene-6-phenylazanyl-1H-benzimidazol-5-yl]piperazin-1-yl]ethanoate Openeye Name: 2-[4-[6-anilino-3-(cyclohexylmethyl)-2-oxo-1H-benzimidazol-5-yl]piperazin-1-yl]acetate CAS Name: 2-[4-[6-anilino-3-(cyclohexylmethyl)-2-oxo-1H-benzimidazol-5-yl]-1-piperazinyl]acetate IUPAC Name: 2-[4-[6-anilino-3-(cyclohexylmethyl)-2-oxo-1H-benzimidazol-5-yl]piperazin-1-yl]acetate Traditional Name: 2-[4-[6-anilino-3-(cyclohexylmethyl)-2-keto-1H-benzimidazol-5-yl]piperazino]acetate Formula: C26H32N5O3- MolecularWeight: 462.56398

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CN2C3=CC(=C(C=C3NC2=O)NC4=CC=CC=C4)N5CCN(CC5)CC(=O)[O-]

Isomeric SMILES

C1CCC(CC1)CN2C3=CC(=C(C=C3NC2=O)NC4=CC=CC=C4)N5CCN(CC5)CC(=O)[O-]

InChI

InChI=1S/C26H33N5O3/c32-25(33)18-29-11-13-30(14-12-29)23-16-24-22(15-21(23)27-20-9-5-2-6-10-20)28-26(34)31(24)17-19-7-3-1-4-8-19/h2,5-6,9-10,15-16,19,27H,1,3-4,7-8,11-14,17-18H2,(H,28,34)(H,32,33)/p-1