N-(3-tert-butyl-1,2-oxazol-5-yl)-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide

Systemtic Name: N-(3-tert-butyl-1,2-oxazol-5-yl)-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide Openeye Name: 3-benzyl-N-(3-tert-butylisoxazol-5-yl)-4-oxo-phthalazine-1-carboxamide CAS Name: N-(3-tert-butyl-5-isoxazolyl)-4-oxo-3-(phenylmethyl)-1-phthalazinecarboxamide IUPAC Name: 3-benzyl-N-(3-tert-butyl-1,2-oxazol-5-yl)-4-oxophthalazine-1-carboxamide Traditional Name: 3-benzyl-N-(3-tert-butylisoxazol-5-yl)-4-keto-phthalazine-1-carboxamide Formula: C23H22N4O3 MolecularWeight: 402.44578

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NOC(=C1)NC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=NOC(=C1)NC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4

InChI

InChI=1S/C23H22N4O3/c1-23(2,3)18-13-19(30-26-18)24-21(28)20-16-11-7-8-12-17(16)22(29)27(25-20)14-15-9-5-4-6-10-15/h4-13H,14H2,1-3H3,(H,24,28)