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

Systemtic Name: N-[4-[[4-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonyl-phenyl]phthalazin-1-yl]amino]phenyl]ethanamide Openeye Name: N-[4-[[4-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonyl-phenyl]phthalazin-1-yl]amino]phenyl]acetamide CAS Name: N-[4-[[4-[4-methyl-3-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]-1-phthalazinyl]amino]phenyl]acetamide IUPAC Name: N-[4-[[4-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonylphenyl]phthalazin-1-yl]amino]phenyl]acetamide Traditional Name: N-[4-[[4-[4-methyl-3-(4-methylpiperazino)sulfonyl-phenyl]phthalazin-1-yl]amino]phenyl]acetamide Formula: C28H30N6O3S MolecularWeight: 530.6412

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

InChI

InChI=1S/C28H30N6O3S/c1-19-8-9-21(18-26(19)38(36,37)34-16-14-33(3)15-17-34)27-24-6-4-5-7-25(24)28(32-31-27)30-23-12-10-22(11-13-23)29-20(2)35/h4-13,18H,14-17H2,1-3H3,(H,29,35)(H,30,32)