4-[4-[(2-propan-2-ylpyrazol-3-yl)amino]phthalazin-1-yl]benzamide

Systemtic Name: 4-[4-[(2-propan-2-ylpyrazol-3-yl)amino]phthalazin-1-yl]benzamide Openeye Name: 4-[4-[(2-isopropylpyrazol-3-yl)amino]phthalazin-1-yl]benzamide CAS Name: 4-[4-[(2-propan-2-yl-3-pyrazolyl)amino]-1-phthalazinyl]benzamide IUPAC Name: 4-[4-[(2-propan-2-ylpyrazol-3-yl)amino]phthalazin-1-yl]benzamide Traditional Name: 4-[4-[(2-isopropylpyrazol-3-yl)amino]phthalazin-1-yl]benzamide Formula: C21H20N6O MolecularWeight: 372.4231

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=CC=N1)NC2=NN=C(C3=CC=CC=C32)C4=CC=C(C=C4)C(=O)N

Isomeric SMILES

CC(C)N1C(=CC=N1)NC2=NN=C(C3=CC=CC=C32)C4=CC=C(C=C4)C(=O)N

InChI

InChI=1S/C21H20N6O/c1-13(2)27-18(11-12-23-27)24-21-17-6-4-3-5-16(17)19(25-26-21)14-7-9-15(10-8-14)20(22)28/h3-13H,1-2H3,(H2,22,28)(H,24,26)