4-oxidanylidene-3-(phenylmethyl)-N-(2-propan-2-ylpyrazol-3-yl)phthalazine-1-carboxamide

Systemtic Name: 4-oxidanylidene-3-(phenylmethyl)-N-(2-propan-2-ylpyrazol-3-yl)phthalazine-1-carboxamide Openeye Name: 3-benzyl-N-(2-isopropylpyrazol-3-yl)-4-oxo-phthalazine-1-carboxamide CAS Name: 4-oxo-3-(phenylmethyl)-N-(2-propan-2-yl-3-pyrazolyl)-1-phthalazinecarboxamide IUPAC Name: 3-benzyl-4-oxo-N-(2-propan-2-ylpyrazol-3-yl)phthalazine-1-carboxamide Traditional Name: 3-benzyl-N-(2-isopropylpyrazol-3-yl)-4-keto-phthalazine-1-carboxamide Formula: C22H21N5O2 MolecularWeight: 387.43444

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=CC=N1)NC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4

Isomeric SMILES

CC(C)N1C(=CC=N1)NC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4

InChI

InChI=1S/C22H21N5O2/c1-15(2)27-19(12-13-23-27)24-21(28)20-17-10-6-7-11-18(17)22(29)26(25-20)14-16-8-4-3-5-9-16/h3-13,15H,14H2,1-2H3,(H,24,28)