5-(2,3-dimethylphenoxy)-4-[[3-(4-ethanoylpiperazin-1-yl)carbonylphenyl]amino]-2-phenyl-pyridazin-3-one

Systemtic Name: 5-(2,3-dimethylphenoxy)-4-[[3-(4-ethanoylpiperazin-1-yl)carbonylphenyl]amino]-2-phenyl-pyridazin-3-one Openeye Name: 4-[3-(4-acetylpiperazine-1-carbonyl)anilino]-5-(2,3-dimethylphenoxy)-2-phenyl-pyridazin-3-one CAS Name: 4-[3-[(4-acetyl-1-piperazinyl)-oxomethyl]anilino]-5-(2,3-dimethylphenoxy)-2-phenyl-3-pyridazinone IUPAC Name: 4-[3-(4-acetylpiperazine-1-carbonyl)anilino]-5-(2,3-dimethylphenoxy)-2-phenylpyridazin-3-one Traditional Name: 4-[3-(4-acetylpiperazine-1-carbonyl)anilino]-5-(2,3-dimethylphenoxy)-2-phenyl-pyridazin-3-one Formula: C31H31N5O4 MolecularWeight: 537.60894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)OC2=C(C(=O)N(N=C2)C3=CC=CC=C3)NC4=CC=CC(=C4)C(=O)N5CCN(CC5)C(=O)C)C

Isomeric SMILES

CC1=C(C(=CC=C1)OC2=C(C(=O)N(N=C2)C3=CC=CC=C3)NC4=CC=CC(=C4)C(=O)N5CCN(CC5)C(=O)C)C

InChI

InChI=1S/C31H31N5O4/c1-21-9-7-14-27(22(21)2)40-28-20-32-36(26-12-5-4-6-13-26)31(39)29(28)33-25-11-8-10-24(19-25)30(38)35-17-15-34(16-18-35)23(3)37/h4-14,19-20,33H,15-18H2,1-3H3