4-[3-[4-(4-chlorophenyl)-1-oxidanylidene-phthalazin-2-yl]propanoylamino]-N,N-diethyl-benzamide

Systemtic Name: 4-[3-[4-(4-chlorophenyl)-1-oxidanylidene-phthalazin-2-yl]propanoylamino]-N,N-diethyl-benzamide Openeye Name: 4-[3-[4-(4-chlorophenyl)-1-oxo-phthalazin-2-yl]propanoylamino]-N,N-diethyl-benzamide CAS Name: 4-[[3-[4-(4-chlorophenyl)-1-oxo-2-phthalazinyl]-1-oxopropyl]amino]-N,N-diethylbenzamide IUPAC Name: 4-[3-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]propanoylamino]-N,N-diethylbenzamide Traditional Name: 4-[3-[4-(4-chlorophenyl)-1-keto-phthalazin-2-yl]propanoylamino]-N,N-diethyl-benzamide Formula: C28H27ClN4O3 MolecularWeight: 502.99198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CC=C(C=C1)NC(=O)CCN2C(=O)C3=CC=CC=C3C(=N2)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCN(CC)C(=O)C1=CC=C(C=C1)NC(=O)CCN2C(=O)C3=CC=CC=C3C(=N2)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C28H27ClN4O3/c1-3-32(4-2)27(35)20-11-15-22(16-12-20)30-25(34)17-18-33-28(36)24-8-6-5-7-23(24)26(31-33)19-9-13-21(29)14-10-19/h5-16H,3-4,17-18H2,1-2H3,(H,30,34)