N-tert-butyl-3-[4-(4-chlorophenyl)-1-oxidanylidene-phthalazin-2-yl]propanamide

Systemtic Name: N-tert-butyl-3-[4-(4-chlorophenyl)-1-oxidanylidene-phthalazin-2-yl]propanamide Openeye Name: N-tert-butyl-3-[4-(4-chlorophenyl)-1-oxo-phthalazin-2-yl]propanamide CAS Name: N-tert-butyl-3-[4-(4-chlorophenyl)-1-oxo-2-phthalazinyl]propanamide IUPAC Name: N-tert-butyl-3-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]propanamide Traditional Name: N-tert-butyl-3-[4-(4-chlorophenyl)-1-keto-phthalazin-2-yl]propionamide Formula: C21H22ClN3O2 MolecularWeight: 383.87128

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CCN1C(=O)C2=CC=CC=C2C(=N1)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)(C)NC(=O)CCN1C(=O)C2=CC=CC=C2C(=N1)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H22ClN3O2/c1-21(2,3)23-18(26)12-13-25-20(27)17-7-5-4-6-16(17)19(24-25)14-8-10-15(22)11-9-14/h4-11H,12-13H2,1-3H3,(H,23,26)