4-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-N-naphthalen-2-yl-phthalazin-1-amine

Systemtic Name: 4-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-N-naphthalen-2-yl-phthalazin-1-amine Openeye Name: 4-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-N-(2-naphthyl)phthalazin-1-amine CAS Name: 4-[4-methyl-3-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]-N-(2-naphthalenyl)-1-phthalazinamine IUPAC Name: 4-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonylphenyl]-N-naphthalen-2-ylphthalazin-1-amine Traditional Name: [4-[4-methyl-3-(4-methylpiperazino)sulfonyl-phenyl]phthalazin-1-yl]-(2-naphthyl)amine Formula: C30H29N5O2S MolecularWeight: 523.64856

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC5=CC=CC=C5C=C4)S(=O)(=O)N6CCN(CC6)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC5=CC=CC=C5C=C4)S(=O)(=O)N6CCN(CC6)C

InChI

InChI=1S/C30H29N5O2S/c1-21-11-12-24(20-28(21)38(36,37)35-17-15-34(2)16-18-35)29-26-9-5-6-10-27(26)30(33-32-29)31-25-14-13-22-7-3-4-8-23(22)19-25/h3-14,19-20H,15-18H2,1-2H3,(H,31,33)