2-methoxy-N-methyl-5-[[4-(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)phthalazin-1-yl]amino]benzamide

Systemtic Name: 2-methoxy-N-methyl-5-[[4-(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)phthalazin-1-yl]amino]benzamide Openeye Name: 2-methoxy-N-methyl-5-[[4-(4-methyl-3-morpholinosulfonyl-phenyl)phthalazin-1-yl]amino]benzamide CAS Name: 2-methoxy-N-methyl-5-[[4-[4-methyl-3-(4-morpholinylsulfonyl)phenyl]-1-phthalazinyl]amino]benzamide IUPAC Name: 2-methoxy-N-methyl-5-[[4-(4-methyl-3-morpholin-4-ylsulfonylphenyl)phthalazin-1-yl]amino]benzamide Traditional Name: 2-methoxy-N-methyl-5-[[4-(4-methyl-3-morpholinosulfonyl-phenyl)phthalazin-1-yl]amino]benzamide Formula: C28H29N5O5S MolecularWeight: 547.62536

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC(=C(C=C4)OC)C(=O)NC)S(=O)(=O)N5CCOCC5

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC(=C(C=C4)OC)C(=O)NC)S(=O)(=O)N5CCOCC5

InChI

InChI=1S/C28H29N5O5S/c1-18-8-9-19(16-25(18)39(35,36)33-12-14-38-15-13-33)26-21-6-4-5-7-22(21)27(32-31-26)30-20-10-11-24(37-3)23(17-20)28(34)29-2/h4-11,16-17H,12-15H2,1-3H3,(H,29,34)(H,30,32)