4-[2-oxidanylidene-2-[(3S)-3-phenyl-1,3-dihydropyrazol-2-yl]ethyl]piperazine-1-carbaldehyde

Systemtic Name: 4-[2-oxidanylidene-2-[(3S)-3-phenyl-1,3-dihydropyrazol-2-yl]ethyl]piperazine-1-carbaldehyde Openeye Name: 4-[2-oxo-2-[(3S)-3-phenyl-1,3-dihydropyrazol-2-yl]ethyl]piperazine-1-carbaldehyde CAS Name: 4-[2-oxo-2-[(3S)-3-phenyl-1,3-dihydropyrazol-2-yl]ethyl]-1-piperazinecarboxaldehyde IUPAC Name: 4-[2-oxo-2-[(3S)-3-phenyl-1,3-dihydropyrazol-2-yl]ethyl]piperazine-1-carbaldehyde Traditional Name: 4-[2-keto-2-[(5S)-5-phenyl-3-pyrazolin-1-yl]ethyl]piperazine-1-carbaldehyde Formula: C16H20N4O2 MolecularWeight: 300.3556

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(=O)N2C(C=CN2)C3=CC=CC=C3)C=O

Isomeric SMILES

C1CN(CCN1CC(=O)N2[C@@H](C=CN2)C3=CC=CC=C3)C=O

InChI

InChI=1S/C16H20N4O2/c21-13-19-10-8-18(9-11-19)12-16(22)20-15(6-7-17-20)14-4-2-1-3-5-14/h1-7,13,15,17H,8-12H2/t15-/m0/s1