ethyl 1-[4-[1-[1-(2-ethoxyethyl)benzimidazol-4-yl]piperazin-2-yl]butyl]pyrazole-4-carboxylate

Systemtic Name: ethyl 1-[4-[1-[1-(2-ethoxyethyl)benzimidazol-4-yl]piperazin-2-yl]butyl]pyrazole-4-carboxylate Openeye Name: ethyl 1-[4-[1-[1-(2-ethoxyethyl)benzimidazol-4-yl]piperazin-2-yl]butyl]pyrazole-4-carboxylate CAS Name: 1-[4-[1-[1-(2-ethoxyethyl)-4-benzimidazolyl]-2-piperazinyl]butyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-[1-[1-(2-ethoxyethyl)benzimidazol-4-yl]piperazin-2-yl]butyl]pyrazole-4-carboxylate Traditional Name: 1-[4-[1-[1-(2-ethoxyethyl)benzimidazol-4-yl]piperazin-2-yl]butyl]pyrazole-4-carboxylic acid ethyl ester Formula: C25H36N6O3 MolecularWeight: 468.59174

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1C=NC2=C1C=CC=C2N3CCNCC3CCCCN4C=C(C=N4)C(=O)OCC

Isomeric SMILES

CCOCCN1C=NC2=C1C=CC=C2N3CCNCC3CCCCN4C=C(C=N4)C(=O)OCC

InChI

InChI=1S/C25H36N6O3/c1-3-33-15-14-29-19-27-24-22(29)9-7-10-23(24)31-13-11-26-17-21(31)8-5-6-12-30-18-20(16-28-30)25(32)34-4-2/h7,9-10,16,18-19,21,26H,3-6,8,11-15,17H2,1-2H3