2-methyl-4-[4-(3-phenylprop-2-ynoyl)piperazin-1-yl]pyrrolo[3,4-c]pyridine-1,3-dione

Systemtic Name: 2-methyl-4-[4-(3-phenylprop-2-ynoyl)piperazin-1-yl]pyrrolo[3,4-c]pyridine-1,3-dione Openeye Name: 2-methyl-4-[4-(3-phenylprop-2-ynoyl)piperazin-1-yl]pyrrolo[3,4-c]pyridine-1,3-dione CAS Name: 2-methyl-4-[4-(1-oxo-3-phenylprop-2-ynyl)-1-piperazinyl]pyrrolo[3,4-c]pyridine-1,3-dione IUPAC Name: 2-methyl-4-[4-(3-phenylprop-2-ynoyl)piperazin-1-yl]pyrrolo[3,4-c]pyridine-1,3-dione Traditional Name: 2-methyl-4-[4-(3-phenylpropioloyl)piperazino]pyrrolo[3,4-c]pyridine-1,3-quinone Formula: C21H18N4O3 MolecularWeight: 374.39262

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(C1=O)C(=NC=C2)N3CCN(CC3)C(=O)C#CC4=CC=CC=C4

Isomeric SMILES

CN1C(=O)C2=C(C1=O)C(=NC=C2)N3CCN(CC3)C(=O)C#CC4=CC=CC=C4

InChI

InChI=1S/C21H18N4O3/c1-23-20(27)16-9-10-22-19(18(16)21(23)28)25-13-11-24(12-14-25)17(26)8-7-15-5-3-2-4-6-15/h2-6,9-10H,11-14H2,1H3