ethyl 1-[[3-[(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)methyl]indol-1-yl]methyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[[3-[(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)methyl]indol-1-yl]methyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[[3-[(3-methyl-5-oxo-1-phenyl-pyrazol-4-ylidene)methyl]indol-1-yl]methyl]piperidine-4-carboxylate CAS Name: 1-[[3-[(3-methyl-5-oxo-1-phenyl-4-pyrazolylidene)methyl]-1-indolyl]methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[3-[(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]indol-1-yl]methyl]piperidine-4-carboxylate Traditional Name: 1-[[3-[(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-ylidene)methyl]indol-1-yl]methyl]isonipecotic acid ethyl ester Formula: C28H30N4O3 MolecularWeight: 470.5628

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)CN2C=C(C3=CC=CC=C32)C=C4C(=NN(C4=O)C5=CC=CC=C5)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)CN2C=C(C3=CC=CC=C32)C=C4C(=NN(C4=O)C5=CC=CC=C5)C

InChI

InChI=1S/C28H30N4O3/c1-3-35-28(34)21-13-15-30(16-14-21)19-31-18-22(24-11-7-8-12-26(24)31)17-25-20(2)29-32(27(25)33)23-9-5-4-6-10-23/h4-12,17-18,21H,3,13-16,19H2,1-2H3