N-[4-(azepan-1-yl)phenyl]-2-(4-oxidanylidene-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)ethanamide

Systemtic Name: N-[4-(azepan-1-yl)phenyl]-2-(4-oxidanylidene-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)ethanamide Openeye Name: N-[4-(azepan-1-yl)phenyl]-2-(4-oxo-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)acetamide CAS Name: N-[4-(1-azepanyl)phenyl]-2-(4-oxo-1-phenyl-5-pyrazolo[3,4-d]pyrimidinyl)acetamide IUPAC Name: N-[4-(azepan-1-yl)phenyl]-2-(4-oxo-1-phenylpyrazolo[3,4-d]pyrimidin-5-yl)acetamide Traditional Name: N-[4-(azepan-1-yl)phenyl]-2-(4-keto-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)acetamide Formula: C25H26N6O2 MolecularWeight: 442.51294

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC=C(C=C2)NC(=O)CN3C=NC4=C(C3=O)C=NN4C5=CC=CC=C5

Isomeric SMILES

C1CCCN(CC1)C2=CC=C(C=C2)NC(=O)CN3C=NC4=C(C3=O)C=NN4C5=CC=CC=C5

InChI

InChI=1S/C25H26N6O2/c32-23(28-19-10-12-20(13-11-19)29-14-6-1-2-7-15-29)17-30-18-26-24-22(25(30)33)16-27-31(24)21-8-4-3-5-9-21/h3-5,8-13,16,18H,1-2,6-7,14-15,17H2,(H,28,32)