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

Systemtic Name: N-[2-(butylamino)-2-oxidanylidene-ethyl]-3-(3-chloranyl-4-methoxy-phenyl)-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-[2-(butylamino)-2-oxo-ethyl]-3-(3-chloro-4-methoxy-phenyl)-4-oxo-phthalazine-1-carboxamide CAS Name: N-[2-(butylamino)-2-oxoethyl]-3-(3-chloro-4-methoxyphenyl)-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-[2-(butylamino)-2-oxoethyl]-3-(3-chloro-4-methoxyphenyl)-4-oxophthalazine-1-carboxamide Traditional Name: N-[2-(butylamino)-2-keto-ethyl]-3-(3-chloro-4-methoxy-phenyl)-4-keto-phthalazine-1-carboxamide Formula: C22H23ClN4O4 MolecularWeight: 442.89542

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23ClN4O4/c1-3-4-11-24-19(28)13-25-21(29)20-15-7-5-6-8-16(15)22(30)27(26-20)14-9-10-18(31-2)17(23)12-14/h5-10,12H,3-4,11,13H2,1-2H3,(H,24,28)(H,25,29)