3-[4-[[2-(2,4-dichlorophenyl)quinazolin-4-yl]amino]butylamino]-1H-pyridazin-6-one

Systemtic Name: 3-[4-[[2-(2,4-dichlorophenyl)quinazolin-4-yl]amino]butylamino]-1H-pyridazin-6-one Openeye Name: 3-[4-[[2-(2,4-dichlorophenyl)quinazolin-4-yl]amino]butylamino]-1H-pyridazin-6-one CAS Name: 3-[4-[[2-(2,4-dichlorophenyl)-4-quinazolinyl]amino]butylamino]-1H-pyridazin-6-one IUPAC Name: 3-[4-[[2-(2,4-dichlorophenyl)quinazolin-4-yl]amino]butylamino]-1H-pyridazin-6-one Traditional Name: 3-[4-[[2-(2,4-dichlorophenyl)quinazolin-4-yl]amino]butylamino]-1H-pyridazin-6-one Formula: C22H20Cl2N6O MolecularWeight: 455.3398

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC(=N2)C3=C(C=C(C=C3)Cl)Cl)NCCCCNC4=NNC(=O)C=C4

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC(=N2)C3=C(C=C(C=C3)Cl)Cl)NCCCCNC4=NNC(=O)C=C4

InChI

InChI=1S/C22H20Cl2N6O/c23-14-7-8-15(17(24)13-14)22-27-18-6-2-1-5-16(18)21(28-22)26-12-4-3-11-25-19-9-10-20(31)30-29-19/h1-2,5-10,13H,3-4,11-12H2,(H,25,29)(H,30,31)(H,26,27,28)