N-[2-[(3-chlorophenyl)amino]-2-oxidanylidene-ethyl]-N-methyl-4-oxidanylidene-3-propan-2-yl-phthalazine-1-carboxamide

Systemtic Name: N-[2-[(3-chlorophenyl)amino]-2-oxidanylidene-ethyl]-N-methyl-4-oxidanylidene-3-propan-2-yl-phthalazine-1-carboxamide Openeye Name: N-[2-(3-chloroanilino)-2-oxo-ethyl]-3-isopropyl-N-methyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[2-(3-chloroanilino)-2-oxoethyl]-N-methyl-4-oxo-3-propan-2-yl-1-phthalazinecarboxamide IUPAC Name: N-[2-(3-chloroanilino)-2-oxoethyl]-N-methyl-4-oxo-3-propan-2-ylphthalazine-1-carboxamide Traditional Name: N-[2-(3-chloroanilino)-2-keto-ethyl]-3-isopropyl-4-keto-N-methyl-phthalazine-1-carboxamide Formula: C21H21ClN4O3 MolecularWeight: 412.86944

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)N(C)CC(=O)NC3=CC(=CC=C3)Cl

Isomeric SMILES

CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)N(C)CC(=O)NC3=CC(=CC=C3)Cl

InChI

InChI=1S/C21H21ClN4O3/c1-13(2)26-20(28)17-10-5-4-9-16(17)19(24-26)21(29)25(3)12-18(27)23-15-8-6-7-14(22)11-15/h4-11,13H,12H2,1-3H3,(H,23,27)