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

Systemtic Name: N-(3-chloranyl-4-methyl-phenyl)-4-(3-methyl-1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepane-1-carboxamide Openeye Name: N-(3-chloro-4-methyl-phenyl)-4-(3-methyl-1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepane-1-carboxamide CAS Name: N-(3-chloro-4-methylphenyl)-4-(3-methyl-1-phenyl-6-propyl-4-pyrazolo[3,4-d]pyrimidinyl)-1,4-diazepane-1-carboxamide IUPAC Name: N-(3-chloro-4-methylphenyl)-4-(3-methyl-1-phenyl-6-propylpyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepane-1-carboxamide Traditional Name: N-(3-chloro-4-methyl-phenyl)-4-(3-methyl-1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepane-1-carboxamide Formula: C28H32ClN7O MolecularWeight: 518.05298

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H32ClN7O/c1-4-9-24-31-26(25-20(3)33-36(27(25)32-24)22-10-6-5-7-11-22)34-14-8-15-35(17-16-34)28(37)30-21-13-12-19(2)23(29)18-21/h5-7,10-13,18H,4,8-9,14-17H2,1-3H3,(H,30,37)