2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-N-(4-nitrophenyl)propanamide

Systemtic Name: 2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-N-(4-nitrophenyl)propanamide Openeye Name: 2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-N-(4-nitrophenyl)propanamide CAS Name: 2-[4-(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazinyl]-N-(4-nitrophenyl)propanamide IUPAC Name: 2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-N-(4-nitrophenyl)propanamide Traditional Name: 2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazino]-N-(4-nitrophenyl)propionamide Formula: C19H22N8O3 MolecularWeight: 410.42978

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])N2CCN(CC2)C3=NC=NC4=C3C=NN4C

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])N2CCN(CC2)C3=NC=NC4=C3C=NN4C

InChI

InChI=1S/C19H22N8O3/c1-13(19(28)23-14-3-5-15(6-4-14)27(29)30)25-7-9-26(10-8-25)18-16-11-22-24(2)17(16)20-12-21-18/h3-6,11-13H,7-10H2,1-2H3,(H,23,28)