3-(3-chloranyl-4-methoxy-phenyl)-N-[2-(2-dimethylaminoethylamino)-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: 3-(3-chloranyl-4-methoxy-phenyl)-N-[2-(2-dimethylaminoethylamino)-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-(3-chloro-4-methoxy-phenyl)-N-[2-(2-dimethylaminoethylamino)-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxamide CAS Name: 3-(3-chloro-4-methoxyphenyl)-N-[2-(2-dimethylaminoethylamino)-2-oxoethyl]-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-(3-chloro-4-methoxyphenyl)-N-[2-(2-dimethylaminoethylamino)-2-oxoethyl]-4-oxophthalazine-1-carboxamide Traditional Name: 3-(3-chloro-4-methoxy-phenyl)-N-[2-(2-dimethylaminoethylamino)-2-keto-ethyl]-4-keto-phthalazine-1-carboxamide Formula: C22H24ClN5O4 MolecularWeight: 457.91006

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCNC(=O)CNC(=O)C1=NN(C(=O)C2=CC=CC=C21)C3=CC(=C(C=C3)OC)Cl

Isomeric SMILES

CN(C)CCNC(=O)CNC(=O)C1=NN(C(=O)C2=CC=CC=C21)C3=CC(=C(C=C3)OC)Cl

InChI

InChI=1S/C22H24ClN5O4/c1-27(2)11-10-24-19(29)13-25-21(30)20-15-6-4-5-7-16(15)22(31)28(26-20)14-8-9-18(32-3)17(23)12-14/h4-9,12H,10-11,13H2,1-3H3,(H,24,29)(H,25,30)