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

Systemtic Name: 2-methoxy-N-methyl-5-[[4-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonyl-phenyl]phthalazin-1-yl]amino]benzamide Openeye Name: 2-methoxy-N-methyl-5-[[4-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonyl-phenyl]phthalazin-1-yl]amino]benzamide CAS Name: 2-methoxy-N-methyl-5-[[4-[4-methyl-3-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]-1-phthalazinyl]amino]benzamide IUPAC Name: 2-methoxy-N-methyl-5-[[4-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonylphenyl]phthalazin-1-yl]amino]benzamide Traditional Name: 2-methoxy-N-methyl-5-[[4-[4-methyl-3-(4-methylpiperazino)sulfonyl-phenyl]phthalazin-1-yl]amino]benzamide 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)OC)C(=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)OC)C(=O)NC)S(=O)(=O)N5CCN(CC5)C

InChI

InChI=1S/C29H32N6O4S/c1-19-9-10-20(17-26(19)40(37,38)35-15-13-34(3)14-16-35)27-22-7-5-6-8-23(22)28(33-32-27)31-21-11-12-25(39-4)24(18-21)29(36)30-2/h5-12,17-18H,13-16H2,1-4H3,(H,30,36)(H,31,33)