(1-tert-butyl-6-cyclopropyl-3-methyl-pyrazolo[3,4-b]pyridin-4-yl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone

Systemtic Name: (1-tert-butyl-6-cyclopropyl-3-methyl-pyrazolo[3,4-b]pyridin-4-yl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone Openeye Name: (1-tert-butyl-6-cyclopropyl-3-methyl-pyrazolo[3,4-b]pyridin-4-yl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone CAS Name: (1-tert-butyl-6-cyclopropyl-3-methyl-4-pyrazolo[3,4-b]pyridinyl)-[4-(4-nitrophenyl)-1-piperazinyl]methanone IUPAC Name: (1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[3,4-b]pyridin-4-yl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone Traditional Name: (1-tert-butyl-6-cyclopropyl-3-methyl-pyrazolo[3,4-b]pyridin-4-yl)-[4-(4-nitrophenyl)piperazino]methanone Formula: C25H30N6O3 MolecularWeight: 462.5441

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C(=CC(=N2)C3CC3)C(=O)N4CCN(CC4)C5=CC=C(C=C5)[N+](=O)[O-])C(C)(C)C

Isomeric SMILES

CC1=NN(C2=C1C(=CC(=N2)C3CC3)C(=O)N4CCN(CC4)C5=CC=C(C=C5)[N+](=O)[O-])C(C)(C)C

InChI

InChI=1S/C25H30N6O3/c1-16-22-20(15-21(17-5-6-17)26-23(22)30(27-16)25(2,3)4)24(32)29-13-11-28(12-14-29)18-7-9-19(10-8-18)31(33)34/h7-10,15,17H,5-6,11-14H2,1-4H3