2-methoxy-5-[[4-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonyl-phenyl]phthalazin-1-yl]amino]benzamide

Systemtic Name: 2-methoxy-5-[[4-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonyl-phenyl]phthalazin-1-yl]amino]benzamide Openeye Name: 2-methoxy-5-[[4-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonyl-phenyl]phthalazin-1-yl]amino]benzamide CAS Name: 2-methoxy-5-[[4-[4-methyl-3-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]-1-phthalazinyl]amino]benzamide IUPAC Name: 2-methoxy-5-[[4-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonylphenyl]phthalazin-1-yl]amino]benzamide Traditional Name: 2-methoxy-5-[[4-[4-methyl-3-(4-methylpiperazino)sulfonyl-phenyl]phthalazin-1-yl]amino]benzamide Formula: C28H30N6O4S MolecularWeight: 546.6406

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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)N)S(=O)(=O)N5CCN(CC5)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC(=C(C=C4)OC)C(=O)N)S(=O)(=O)N5CCN(CC5)C

InChI

InChI=1S/C28H30N6O4S/c1-18-8-9-19(16-25(18)39(36,37)34-14-12-33(2)13-15-34)26-21-6-4-5-7-22(21)28(32-31-26)30-20-10-11-24(38-3)23(17-20)27(29)35/h4-11,16-17H,12-15H2,1-3H3,(H2,29,35)(H,30,32)