1,1-dimethyl-4-[4-(3-phenylprop-2-ynoyl)piperazin-1-yl]-2H-pyrrolo[3,4-c]pyridin-3-one

Systemtic Name: 1,1-dimethyl-4-[4-(3-phenylprop-2-ynoyl)piperazin-1-yl]-2H-pyrrolo[3,4-c]pyridin-3-one Openeye Name: 1,1-dimethyl-4-[4-(3-phenylprop-2-ynoyl)piperazin-1-yl]-2H-pyrrolo[3,4-c]pyridin-3-one CAS Name: 1,1-dimethyl-4-[4-(1-oxo-3-phenylprop-2-ynyl)-1-piperazinyl]-2H-pyrrolo[3,4-c]pyridin-3-one IUPAC Name: 1,1-dimethyl-4-[4-(3-phenylprop-2-ynoyl)piperazin-1-yl]-2H-pyrrolo[3,4-c]pyridin-3-one Traditional Name: 1,1-dimethyl-4-[4-(3-phenylpropioloyl)piperazino]-2H-pyrrolo[3,4-c]pyridin-3-one Formula: C22H22N4O2 MolecularWeight: 374.43568

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C(=O)N1)C(=NC=C2)N3CCN(CC3)C(=O)C#CC4=CC=CC=C4)C

Isomeric SMILES

CC1(C2=C(C(=O)N1)C(=NC=C2)N3CCN(CC3)C(=O)C#CC4=CC=CC=C4)C

InChI

InChI=1S/C22H22N4O2/c1-22(2)17-10-11-23-20(19(17)21(28)24-22)26-14-12-25(13-15-26)18(27)9-8-16-6-4-3-5-7-16/h3-7,10-11H,12-15H2,1-2H3,(H,24,28)