3-[1,4-bis(oxidanylidene)-3H-phthalazin-2-yl]-N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)propanamide

Systemtic Name: 3-[1,4-bis(oxidanylidene)-3H-phthalazin-2-yl]-N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)propanamide Openeye Name: N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide CAS Name: N-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide IUPAC Name: N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide Traditional Name: 3-(1,4-diketo-3H-phthalazin-2-yl)-N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)propionamide Formula: C22H21N5O3 MolecularWeight: 403.43384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)CCN3C(=O)C4=CC=CC=C4C(=O)N3

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)CCN3C(=O)C4=CC=CC=C4C(=O)N3

InChI

InChI=1S/C22H21N5O3/c1-14-20(15(2)27(24-14)16-8-4-3-5-9-16)23-19(28)12-13-26-22(30)18-11-7-6-10-17(18)21(29)25-26/h3-11H,12-13H2,1-2H3,(H,23,28)(H,25,29)