N-[3-(2-chloranylethanoyl)-2,5-dimethyl-pyrrol-1-yl]-4-oxidanylidene-3H-phthalazine-1-carboxamide

Systemtic Name: N-[3-(2-chloranylethanoyl)-2,5-dimethyl-pyrrol-1-yl]-4-oxidanylidene-3H-phthalazine-1-carboxamide Openeye Name: N-[3-(2-chloroacetyl)-2,5-dimethyl-pyrrol-1-yl]-4-oxo-3H-phthalazine-1-carboxamide CAS Name: N-[3-(2-chloro-1-oxoethyl)-2,5-dimethyl-1-pyrrolyl]-4-oxo-3H-phthalazine-1-carboxamide IUPAC Name: N-[3-(2-chloroacetyl)-2,5-dimethylpyrrol-1-yl]-4-oxo-3H-phthalazine-1-carboxamide Traditional Name: N-[3-(2-chloroacetyl)-2,5-dimethyl-pyrrol-1-yl]-4-keto-3H-phthalazine-1-carboxamide Formula: C17H15ClN4O3 MolecularWeight: 358.779

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1NC(=O)C2=NNC(=O)C3=CC=CC=C32)C)C(=O)CCl

Isomeric SMILES

CC1=CC(=C(N1NC(=O)C2=NNC(=O)C3=CC=CC=C32)C)C(=O)CCl

InChI

InChI=1S/C17H15ClN4O3/c1-9-7-13(14(23)8-18)10(2)22(9)21-17(25)15-11-5-3-4-6-12(11)16(24)20-19-15/h3-7H,8H2,1-2H3,(H,20,24)(H,21,25)