4-[2-oxidanylidene-2-[4-(phenylcarbonyl)piperazin-1-yl]ethanoyl]-1H-pyrrole-2-carbaldehyde

Systemtic Name: 4-[2-oxidanylidene-2-[4-(phenylcarbonyl)piperazin-1-yl]ethanoyl]-1H-pyrrole-2-carbaldehyde Openeye Name: 4-[2-(4-benzoylpiperazin-1-yl)-2-oxo-acetyl]-1H-pyrrole-2-carbaldehyde CAS Name: 4-[2-(4-benzoyl-1-piperazinyl)-1,2-dioxoethyl]-1H-pyrrole-2-carboxaldehyde IUPAC Name: 4-[2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl]-1H-pyrrole-2-carbaldehyde Traditional Name: 4-[2-(4-benzoylpiperazino)-2-keto-acetyl]-1H-pyrrole-2-carbaldehyde Formula: C18H17N3O4 MolecularWeight: 339.34528

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC=CC=C2)C(=O)C(=O)C3=CNC(=C3)C=O

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC=CC=C2)C(=O)C(=O)C3=CNC(=C3)C=O

InChI

InChI=1S/C18H17N3O4/c22-12-15-10-14(11-19-15)16(23)18(25)21-8-6-20(7-9-21)17(24)13-4-2-1-3-5-13/h1-5,10-12,19H,6-9H2