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

Systemtic Name: N,N-diethyl-4-[[4-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonyl-phenyl]phthalazin-1-yl]amino]benzamide Openeye Name: N,N-diethyl-4-[[4-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonyl-phenyl]phthalazin-1-yl]amino]benzamide CAS Name: N,N-diethyl-4-[[4-[4-methyl-3-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]-1-phthalazinyl]amino]benzamide IUPAC Name: N,N-diethyl-4-[[4-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonylphenyl]phthalazin-1-yl]amino]benzamide Traditional Name: N,N-diethyl-4-[[4-[4-methyl-3-(4-methylpiperazino)sulfonyl-phenyl]phthalazin-1-yl]amino]benzamide Formula: C31H36N6O3S MolecularWeight: 572.72094

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CC=C(C=C1)NC2=NN=C(C3=CC=CC=C32)C4=CC(=C(C=C4)C)S(=O)(=O)N5CCN(CC5)C

Isomeric SMILES

CCN(CC)C(=O)C1=CC=C(C=C1)NC2=NN=C(C3=CC=CC=C32)C4=CC(=C(C=C4)C)S(=O)(=O)N5CCN(CC5)C

InChI

InChI=1S/C31H36N6O3S/c1-5-36(6-2)31(38)23-13-15-25(16-14-23)32-30-27-10-8-7-9-26(27)29(33-34-30)24-12-11-22(3)28(21-24)41(39,40)37-19-17-35(4)18-20-37/h7-16,21H,5-6,17-20H2,1-4H3,(H,32,34)