ethyl 4-[6-phenyl-1-(phenylmethyl)pyrazolo[3,4-b]pyridin-4-yl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[6-phenyl-1-(phenylmethyl)pyrazolo[3,4-b]pyridin-4-yl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-(1-benzyl-6-phenyl-pyrazolo[3,4-b]pyridine-4-carbonyl)piperazine-1-carboxylate CAS Name: 4-[oxo-[6-phenyl-1-(phenylmethyl)-4-pyrazolo[3,4-b]pyridinyl]methyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(1-benzyl-6-phenylpyrazolo[3,4-b]pyridine-4-carbonyl)piperazine-1-carboxylate Traditional Name: 4-(1-benzyl-6-phenyl-pyrazolo[3,4-b]pyridine-4-carbonyl)piperazine-1-carboxylic acid ethyl ester Formula: C27H27N5O3 MolecularWeight: 469.53498

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=CC(=NC3=C2C=NN3CC4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=CC(=NC3=C2C=NN3CC4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H27N5O3/c1-2-35-27(34)31-15-13-30(14-16-31)26(33)22-17-24(21-11-7-4-8-12-21)29-25-23(22)18-28-32(25)19-20-9-5-3-6-10-20/h3-12,17-18H,2,13-16,19H2,1H3