N-(3-chlorophenyl)-4-(1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepane-1-carboxamide

Systemtic Name: N-(3-chlorophenyl)-4-(1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepane-1-carboxamide Openeye Name: N-(3-chlorophenyl)-4-(1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepane-1-carboxamide CAS Name: N-(3-chlorophenyl)-4-(1-phenyl-6-propyl-4-pyrazolo[3,4-d]pyrimidinyl)-1,4-diazepane-1-carboxamide IUPAC Name: N-(3-chlorophenyl)-4-(1-phenyl-6-propylpyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepane-1-carboxamide Traditional Name: N-(3-chlorophenyl)-4-(1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepane-1-carboxamide Formula: C26H28ClN7O MolecularWeight: 489.99982

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)N4CCCN(CC4)C(=O)NC5=CC(=CC=C5)Cl

Isomeric SMILES

CCCC1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)N4CCCN(CC4)C(=O)NC5=CC(=CC=C5)Cl

InChI

InChI=1S/C26H28ClN7O/c1-2-8-23-30-24(22-18-28-34(25(22)31-23)21-11-4-3-5-12-21)32-13-7-14-33(16-15-32)26(35)29-20-10-6-9-19(27)17-20/h3-6,9-12,17-18H,2,7-8,13-16H2,1H3,(H,29,35)