[4-[[4-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonyl-phenyl]phthalazin-1-yl]amino]phenyl]-piperidin-1-yl-methanone

Systemtic Name: [4-[[4-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonyl-phenyl]phthalazin-1-yl]amino]phenyl]-piperidin-1-yl-methanone Openeye Name: [4-[[4-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonyl-phenyl]phthalazin-1-yl]amino]phenyl]-(1-piperidyl)methanone CAS Name: [4-[[4-[4-methyl-3-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]-1-phthalazinyl]amino]phenyl]-(1-piperidinyl)methanone IUPAC Name: [4-[[4-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonylphenyl]phthalazin-1-yl]amino]phenyl]-piperidin-1-ylmethanone Traditional Name: [4-[[4-[4-methyl-3-(4-methylpiperazino)sulfonyl-phenyl]phthalazin-1-yl]amino]phenyl]-piperidino-methanone Formula: C32H36N6O3S MolecularWeight: 584.73164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC=C(C=C4)C(=O)N5CCCCC5)S(=O)(=O)N6CCN(CC6)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC=C(C=C4)C(=O)N5CCCCC5)S(=O)(=O)N6CCN(CC6)C

InChI

InChI=1S/C32H36N6O3S/c1-23-10-11-25(22-29(23)42(40,41)38-20-18-36(2)19-21-38)30-27-8-4-5-9-28(27)31(35-34-30)33-26-14-12-24(13-15-26)32(39)37-16-6-3-7-17-37/h4-5,8-15,22H,3,6-7,16-21H2,1-2H3,(H,33,35)