4-(6-ethyl-3-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)-N-propan-2-yl-1,4-diazepane-1-carboxamide

Systemtic Name: 4-(6-ethyl-3-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)-N-propan-2-yl-1,4-diazepane-1-carboxamide Openeye Name: 4-(6-ethyl-3-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)-N-isopropyl-1,4-diazepane-1-carboxamide CAS Name: 4-(6-ethyl-3-methyl-1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)-N-propan-2-yl-1,4-diazepane-1-carboxamide IUPAC Name: 4-(6-ethyl-3-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)-N-propan-2-yl-1,4-diazepane-1-carboxamide Traditional Name: 4-(6-ethyl-3-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)-N-isopropyl-1,4-diazepane-1-carboxamide Formula: C23H31N7O MolecularWeight: 421.53854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31N7O/c1-5-19-25-21(28-12-9-13-29(15-14-28)23(31)24-16(2)3)20-17(4)27-30(22(20)26-19)18-10-7-6-8-11-18/h6-8,10-11,16H,5,9,12-15H2,1-4H3,(H,24,31)