1-[4-[[(4-oxidanylidene-3-propyl-phthalazin-1-yl)carbonylamino]carbamoyl]phenyl]urea

Systemtic Name: 1-[4-[[(4-oxidanylidene-3-propyl-phthalazin-1-yl)carbonylamino]carbamoyl]phenyl]urea Openeye Name: [4-[[(4-oxo-3-propyl-phthalazine-1-carbonyl)amino]carbamoyl]phenyl]urea CAS Name: [4-[oxo-[[oxo-(4-oxo-3-propyl-1-phthalazinyl)methyl]hydrazo]methyl]phenyl]urea IUPAC Name: [4-[[(4-oxo-3-propylphthalazine-1-carbonyl)amino]carbamoyl]phenyl]urea Traditional Name: [4-[[(4-keto-3-propyl-phthalazine-1-carbonyl)amino]carbamoyl]phenyl]urea Formula: C20H20N6O4 MolecularWeight: 408.4106

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=O)C3=CC=C(C=C3)NC(=O)N

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=O)C3=CC=C(C=C3)NC(=O)N

InChI

InChI=1S/C20H20N6O4/c1-2-11-26-19(29)15-6-4-3-5-14(15)16(25-26)18(28)24-23-17(27)12-7-9-13(10-8-12)22-20(21)30/h3-10H,2,11H2,1H3,(H,23,27)(H,24,28)(H3,21,22,30)