ethyl 1-[4-[4-[[1-(2-ethoxyethyl)benzimidazol-2-yl]methyl]-1,4-diazepan-1-yl]butyl]pyrazole-4-carboxylate

Systemtic Name: ethyl 1-[4-[4-[[1-(2-ethoxyethyl)benzimidazol-2-yl]methyl]-1,4-diazepan-1-yl]butyl]pyrazole-4-carboxylate Openeye Name: ethyl 1-[4-[4-[[1-(2-ethoxyethyl)benzimidazol-2-yl]methyl]-1,4-diazepan-1-yl]butyl]pyrazole-4-carboxylate CAS Name: 1-[4-[4-[[1-(2-ethoxyethyl)-2-benzimidazolyl]methyl]-1,4-diazepan-1-yl]butyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-[4-[[1-(2-ethoxyethyl)benzimidazol-2-yl]methyl]-1,4-diazepan-1-yl]butyl]pyrazole-4-carboxylate Traditional Name: 1-[4-[4-[[1-(2-ethoxyethyl)benzimidazol-2-yl]methyl]-1,4-diazepan-1-yl]butyl]pyrazole-4-carboxylic acid ethyl ester Formula: C27H40N6O3 MolecularWeight: 496.6449

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1C2=CC=CC=C2N=C1CN3CCCN(CC3)CCCCN4C=C(C=N4)C(=O)OCC

Isomeric SMILES

CCOCCN1C2=CC=CC=C2N=C1CN3CCCN(CC3)CCCCN4C=C(C=N4)C(=O)OCC

InChI

InChI=1S/C27H40N6O3/c1-3-35-19-18-33-25-11-6-5-10-24(25)29-26(33)22-31-14-9-13-30(16-17-31)12-7-8-15-32-21-23(20-28-32)27(34)36-4-2/h5-6,10-11,20-21H,3-4,7-9,12-19,22H2,1-2H3