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

Systemtic Name: 2-methoxy-N-methyl-5-[[4-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)phthalazin-1-yl]amino]benzamide Openeye Name: 2-methoxy-N-methyl-5-[[4-[4-methyl-3-(1-piperidylsulfonyl)phenyl]phthalazin-1-yl]amino]benzamide CAS Name: 2-methoxy-N-methyl-5-[[4-[4-methyl-3-(1-piperidinylsulfonyl)phenyl]-1-phthalazinyl]amino]benzamide IUPAC Name: 2-methoxy-N-methyl-5-[[4-(4-methyl-3-piperidin-1-ylsulfonylphenyl)phthalazin-1-yl]amino]benzamide Traditional Name: 2-methoxy-N-methyl-5-[[4-(4-methyl-3-piperidinosulfonyl-phenyl)phthalazin-1-yl]amino]benzamide Formula: C29H31N5O4S MolecularWeight: 545.65254

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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)N5CCCCC5

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)N5CCCCC5

InChI

InChI=1S/C29H31N5O4S/c1-19-11-12-20(17-26(19)39(36,37)34-15-7-4-8-16-34)27-22-9-5-6-10-23(22)28(33-32-27)31-21-13-14-25(38-3)24(18-21)29(35)30-2/h5-6,9-14,17-18H,4,7-8,15-16H2,1-3H3,(H,30,35)(H,31,33)