[4-(6-cyclopropyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]-phenyl-methanone

Systemtic Name: [4-(6-cyclopropyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]-phenyl-methanone Openeye Name: [4-(6-cyclopropyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]-phenyl-methanone CAS Name: [4-(6-cyclopropyl-1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)-1,4-diazepan-1-yl]-phenylmethanone IUPAC Name: [4-(6-cyclopropyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]-phenylmethanone Traditional Name: [4-(6-cyclopropyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]-phenyl-methanone Formula: C26H26N6O MolecularWeight: 438.52424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CC=CC=C2)C3=NC(=NC4=C3C=NN4C5=CC=CC=C5)C6CC6

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CC=CC=C2)C3=NC(=NC4=C3C=NN4C5=CC=CC=C5)C6CC6

InChI

InChI=1S/C26H26N6O/c33-26(20-8-3-1-4-9-20)31-15-7-14-30(16-17-31)24-22-18-27-32(21-10-5-2-6-11-21)25(22)29-23(28-24)19-12-13-19/h1-6,8-11,18-19H,7,12-17H2