1-[3-[3-[(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)methyl]indol-1-yl]-2-oxidanyl-propyl]piperidin-4-one

Systemtic Name: 1-[3-[3-[(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)methyl]indol-1-yl]-2-oxidanyl-propyl]piperidin-4-one Openeye Name: 1-[2-hydroxy-3-[3-[(3-methyl-5-oxo-1-phenyl-pyrazol-4-ylidene)methyl]indol-1-yl]propyl]piperidin-4-one CAS Name: 1-[2-hydroxy-3-[3-[(3-methyl-5-oxo-1-phenyl-4-pyrazolylidene)methyl]-1-indolyl]propyl]-4-piperidinone IUPAC Name: 1-[2-hydroxy-3-[3-[(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]indol-1-yl]propyl]piperidin-4-one Traditional Name: 1-[2-hydroxy-3-[3-[(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-ylidene)methyl]indol-1-yl]propyl]-4-piperidone Formula: C27H28N4O3 MolecularWeight: 456.53622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CN(C3=CC=CC=C32)CC(CN4CCC(=O)CC4)O)C5=CC=CC=C5

Isomeric SMILES

CC1=NN(C(=O)C1=CC2=CN(C3=CC=CC=C32)CC(CN4CCC(=O)CC4)O)C5=CC=CC=C5

InChI

InChI=1S/C27H28N4O3/c1-19-25(27(34)31(28-19)21-7-3-2-4-8-21)15-20-16-30(26-10-6-5-9-24(20)26)18-23(33)17-29-13-11-22(32)12-14-29/h2-10,15-16,23,33H,11-14,17-18H2,1H3