N-methyl-2-[4-[[4-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonyl-phenyl]phthalazin-1-yl]amino]phenoxy]ethanamide

Systemtic Name: N-methyl-2-[4-[[4-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonyl-phenyl]phthalazin-1-yl]amino]phenoxy]ethanamide Openeye Name: N-methyl-2-[4-[[4-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonyl-phenyl]phthalazin-1-yl]amino]phenoxy]acetamide CAS Name: N-methyl-2-[4-[[4-[4-methyl-3-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]-1-phthalazinyl]amino]phenoxy]acetamide IUPAC Name: N-methyl-2-[4-[[4-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonylphenyl]phthalazin-1-yl]amino]phenoxy]acetamide Traditional Name: N-methyl-2-[4-[[4-[4-methyl-3-(4-methylpiperazino)sulfonyl-phenyl]phthalazin-1-yl]amino]phenoxy]acetamide Formula: C29H32N6O4S MolecularWeight: 560.66718

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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)OCC(=O)NC)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)OCC(=O)NC)S(=O)(=O)N5CCN(CC5)C

InChI

InChI=1S/C29H32N6O4S/c1-20-8-9-21(18-26(20)40(37,38)35-16-14-34(3)15-17-35)28-24-6-4-5-7-25(24)29(33-32-28)31-22-10-12-23(13-11-22)39-19-27(36)30-2/h4-13,18H,14-17,19H2,1-3H3,(H,30,36)(H,31,33)