ethyl 1-[1-[1-(1H-benzimidazol-2-yl)-3-methyl-5-oxidanylidene-pyrazol-4-ylidene]ethyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[1-[1-(1H-benzimidazol-2-yl)-3-methyl-5-oxidanylidene-pyrazol-4-ylidene]ethyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[1-[1-(1H-benzimidazol-2-yl)-3-methyl-5-oxo-pyrazol-4-ylidene]ethyl]piperidine-4-carboxylate CAS Name: 1-[1-[1-(1H-benzimidazol-2-yl)-3-methyl-5-oxo-4-pyrazolylidene]ethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[1-[1-(1H-benzimidazol-2-yl)-3-methyl-5-oxopyrazol-4-ylidene]ethyl]piperidine-4-carboxylate Traditional Name: 1-[1-[1-(1H-benzimidazol-2-yl)-5-keto-3-methyl-2-pyrazolin-4-ylidene]ethyl]isonipecotic acid ethyl ester Formula: C21H25N5O3 MolecularWeight: 395.4549

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=C2C(=NN(C2=O)C3=NC4=CC=CC=C4N3)C)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=C2C(=NN(C2=O)C3=NC4=CC=CC=C4N3)C)C

InChI

InChI=1S/C21H25N5O3/c1-4-29-20(28)15-9-11-25(12-10-15)14(3)18-13(2)24-26(19(18)27)21-22-16-7-5-6-8-17(16)23-21/h5-8,15H,4,9-12H2,1-3H3,(H,22,23)