N-[5-butyl-3-(4-chlorophenyl)-7-iodanyl-1,7-dihydropyrazolo[4,3-d]pyrimidin-6-yl]benzamide

Systemtic Name: N-[5-butyl-3-(4-chlorophenyl)-7-iodanyl-1,7-dihydropyrazolo[4,3-d]pyrimidin-6-yl]benzamide Openeye Name: N-[5-butyl-3-(4-chlorophenyl)-7-iodo-1,7-dihydropyrazolo[4,3-d]pyrimidin-6-yl]benzamide CAS Name: N-[5-butyl-3-(4-chlorophenyl)-7-iodo-1,7-dihydropyrazolo[4,3-d]pyrimidin-6-yl]benzamide IUPAC Name: N-[5-butyl-3-(4-chlorophenyl)-7-iodo-1,7-dihydropyrazolo[4,3-d]pyrimidin-6-yl]benzamide Traditional Name: N-[5-butyl-3-(4-chlorophenyl)-7-iodo-1,7-dihydropyrazolo[4,3-d]pyrimidin-6-yl]benzamide Formula: C22H21ClIN5O MolecularWeight: 533.79251

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(C(N1NC(=O)C3=CC=CC=C3)I)NN=C2C4=CC=C(C=C4)Cl

Isomeric SMILES

CCCCC1=NC2=C(C(N1NC(=O)C3=CC=CC=C3)I)NN=C2C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H21ClIN5O/c1-2-3-9-17-25-19-18(14-10-12-16(23)13-11-14)26-27-20(19)21(24)29(17)28-22(30)15-7-5-4-6-8-15/h4-8,10-13,21H,2-3,9H2,1H3,(H,26,27)(H,28,30)