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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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