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

Systemtic Name: ethyl 2-[4-[3-(cyclohexylmethyl)-2-oxidanylidene-6-phenylazanyl-1H-benzimidazol-5-yl]piperazin-1-yl]ethanoate Openeye Name: ethyl 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]acetic acid ethyl ester IUPAC Name: ethyl 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]acetic acid ethyl ester Formula: C28H37N5O3 MolecularWeight: 491.62508

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1CCN(CC1)C2=C(C=C3C(=C2)N(C(=O)N3)CC4CCCCC4)NC5=CC=CC=C5

Isomeric SMILES

CCOC(=O)CN1CCN(CC1)C2=C(C=C3C(=C2)N(C(=O)N3)CC4CCCCC4)NC5=CC=CC=C5

InChI

InChI=1S/C28H37N5O3/c1-2-36-27(34)20-31-13-15-32(16-14-31)25-18-26-24(17-23(25)29-22-11-7-4-8-12-22)30-28(35)33(26)19-21-9-5-3-6-10-21/h4,7-8,11-12,17-18,21,29H,2-3,5-6,9-10,13-16,19-20H2,1H3,(H,30,35)