2-[4-[4-[(3-chlorophenyl)amino]phthalazin-1-yl]phenoxy]-N,N-diethyl-ethanamide

Systemtic Name: 2-[4-[4-[(3-chlorophenyl)amino]phthalazin-1-yl]phenoxy]-N,N-diethyl-ethanamide Openeye Name: 2-[4-[4-(3-chloroanilino)phthalazin-1-yl]phenoxy]-N,N-diethyl-acetamide CAS Name: 2-[4-[4-(3-chloroanilino)-1-phthalazinyl]phenoxy]-N,N-diethylacetamide IUPAC Name: 2-[4-[4-(3-chloroanilino)phthalazin-1-yl]phenoxy]-N,N-diethylacetamide Traditional Name: 2-[4-[4-(3-chloroanilino)phthalazin-1-yl]phenoxy]-N,N-diethyl-acetamide Formula: C26H25ClN4O2 MolecularWeight: 460.9553

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)COC1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC(=CC=C4)Cl

Isomeric SMILES

CCN(CC)C(=O)COC1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC(=CC=C4)Cl

InChI

InChI=1S/C26H25ClN4O2/c1-3-31(4-2)24(32)17-33-21-14-12-18(13-15-21)25-22-10-5-6-11-23(22)26(30-29-25)28-20-9-7-8-19(27)16-20/h5-16H,3-4,17H2,1-2H3,(H,28,30)