4-[4-[3-(3-chlorophenyl)-1H-pyrazol-5-yl]phthalazin-1-yl]-N-methyl-benzamide

Systemtic Name: 4-[4-[3-(3-chlorophenyl)-1H-pyrazol-5-yl]phthalazin-1-yl]-N-methyl-benzamide Openeye Name: 4-[4-[3-(3-chlorophenyl)-1H-pyrazol-5-yl]phthalazin-1-yl]-N-methyl-benzamide CAS Name: 4-[4-[3-(3-chlorophenyl)-1H-pyrazol-5-yl]-1-phthalazinyl]-N-methylbenzamide IUPAC Name: 4-[4-[3-(3-chlorophenyl)-1H-pyrazol-5-yl]phthalazin-1-yl]-N-methylbenzamide Traditional Name: 4-[4-[3-(3-chlorophenyl)-1H-pyrazol-5-yl]phthalazin-1-yl]-N-methyl-benzamide Formula: C25H18ClN5O MolecularWeight: 439.89632

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)C4=CC(=NN4)C5=CC(=CC=C5)Cl

Isomeric SMILES

CNC(=O)C1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)C4=CC(=NN4)C5=CC(=CC=C5)Cl

InChI

InChI=1S/C25H18ClN5O/c1-27-25(32)16-11-9-15(10-12-16)23-19-7-2-3-8-20(19)24(31-30-23)22-14-21(28-29-22)17-5-4-6-18(26)13-17/h2-14H,1H3,(H,27,32)(H,28,29)