3-chloranyl-N-[(5,6-dimethyl-7-oxidanylidene-3-propyl-1H-pyrazolo[1,5-a]pyrimidin-2-yl)methyl]-N-propyl-benzamide

Systemtic Name: 3-chloranyl-N-[(5,6-dimethyl-7-oxidanylidene-3-propyl-1H-pyrazolo[1,5-a]pyrimidin-2-yl)methyl]-N-propyl-benzamide Openeye Name: 3-chloro-N-[(5,6-dimethyl-7-oxo-3-propyl-1H-pyrazolo[1,5-a]pyrimidin-2-yl)methyl]-N-propyl-benzamide CAS Name: 3-chloro-N-[(5,6-dimethyl-7-oxo-3-propyl-1H-pyrazolo[1,5-a]pyrimidin-2-yl)methyl]-N-propylbenzamide IUPAC Name: 3-chloro-N-[(5,6-dimethyl-7-oxo-3-propyl-1H-pyrazolo[1,5-a]pyrimidin-2-yl)methyl]-N-propylbenzamide Traditional Name: 3-chloro-N-[(7-keto-5,6-dimethyl-3-propyl-1H-pyrazolo[1,5-a]pyrimidin-2-yl)methyl]-N-propyl-benzamide Formula: C22H27ClN4O2 MolecularWeight: 414.92838

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(NN2C1=NC(=C(C2=O)C)C)CN(CCC)C(=O)C3=CC(=CC=C3)Cl

Isomeric SMILES

CCCC1=C(NN2C1=NC(=C(C2=O)C)C)CN(CCC)C(=O)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C22H27ClN4O2/c1-5-8-18-19(25-27-20(18)24-15(4)14(3)21(27)28)13-26(11-6-2)22(29)16-9-7-10-17(23)12-16/h7,9-10,12,25H,5-6,8,11,13H2,1-4H3