4-[1-(2-pyrazol-1-ylethyl)benzimidazol-2-yl]-1,4-diazepane-1-carboxylic acid

Systemtic Name: 4-[1-(2-pyrazol-1-ylethyl)benzimidazol-2-yl]-1,4-diazepane-1-carboxylic acid Openeye Name: 4-[1-(2-pyrazol-1-ylethyl)benzimidazol-2-yl]-1,4-diazepane-1-carboxylic acid CAS Name: 4-[1-[2-(1-pyrazolyl)ethyl]-2-benzimidazolyl]-1,4-diazepane-1-carboxylic acid IUPAC Name: 4-[1-(2-pyrazol-1-ylethyl)benzimidazol-2-yl]-1,4-diazepane-1-carboxylic acid Traditional Name: 4-[1-(2-pyrazol-1-ylethyl)benzimidazol-2-yl]-1,4-diazepane-1-carboxylic acid Formula: C18H22N6O2 MolecularWeight: 354.40628

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)O)C2=NC3=CC=CC=C3N2CCN4C=CC=N4

Isomeric SMILES

C1CN(CCN(C1)C(=O)O)C2=NC3=CC=CC=C3N2CCN4C=CC=N4

InChI

InChI=1S/C18H22N6O2/c25-18(26)22-9-4-8-21(11-12-22)17-20-15-5-1-2-6-16(15)24(17)14-13-23-10-3-7-19-23/h1-3,5-7,10H,4,8-9,11-14H2,(H,25,26)