ethyl 5-(1H-benzimidazol-2-ylmethyl)-1-(2-methylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate

Systemtic Name: ethyl 5-(1H-benzimidazol-2-ylmethyl)-1-(2-methylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate Openeye Name: ethyl 5-(1H-benzimidazol-2-ylmethyl)-1-isobutyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate CAS Name: 5-(1H-benzimidazol-2-ylmethyl)-1-(2-methylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-(1H-benzimidazol-2-ylmethyl)-1-(2-methylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate Traditional Name: 5-(1H-benzimidazol-2-ylmethyl)-1-isobutyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid ethyl ester Formula: C21H27N5O2 MolecularWeight: 381.47138

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C2=C1CN(CC2)CC3=NC4=CC=CC=C4N3)CC(C)C

Isomeric SMILES

CCOC(=O)C1=NN(C2=C1CN(CC2)CC3=NC4=CC=CC=C4N3)CC(C)C

InChI

InChI=1S/C21H27N5O2/c1-4-28-21(27)20-15-12-25(10-9-18(15)26(24-20)11-14(2)3)13-19-22-16-7-5-6-8-17(16)23-19/h5-8,14H,4,9-13H2,1-3H3,(H,22,23)