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

Systemtic Name: [4-(6-ethyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]-phenyl-methanone Openeye Name: [4-(6-ethyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]-phenyl-methanone CAS Name: [4-(6-ethyl-1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)-1,4-diazepan-1-yl]-phenylmethanone IUPAC Name: [4-(6-ethyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]-phenylmethanone Traditional Name: [4-(6-ethyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]-phenyl-methanone Formula: C25H26N6O MolecularWeight: 426.51354

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)N4CCCN(CC4)C(=O)C5=CC=CC=C5

Isomeric SMILES

CCC1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)N4CCCN(CC4)C(=O)C5=CC=CC=C5

InChI

InChI=1S/C25H26N6O/c1-2-22-27-23(21-18-26-31(24(21)28-22)20-12-7-4-8-13-20)29-14-9-15-30(17-16-29)25(32)19-10-5-3-6-11-19/h3-8,10-13,18H,2,9,14-17H2,1H3