1-(2-chloroethyl)-3-[(4-oxidanylidene-3H-phthalazin-1-yl)methyl]urea

Systemtic Name: 1-(2-chloroethyl)-3-[(4-oxidanylidene-3H-phthalazin-1-yl)methyl]urea Openeye Name: 1-(2-chloroethyl)-3-[(4-oxo-3H-phthalazin-1-yl)methyl]urea CAS Name: 1-(2-chloroethyl)-3-[(4-oxo-3H-phthalazin-1-yl)methyl]urea IUPAC Name: 1-(2-chloroethyl)-3-[(4-oxo-3H-phthalazin-1-yl)methyl]urea Traditional Name: 1-(2-chloroethyl)-3-[(4-keto-3H-phthalazin-1-yl)methyl]urea Formula: C12H13ClN4O2 MolecularWeight: 280.71022

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NNC2=O)CNC(=O)NCCCl

Isomeric SMILES

C1=CC=C2C(=C1)C(=NNC2=O)CNC(=O)NCCCl

InChI

InChI=1S/C12H13ClN4O2/c13-5-6-14-12(19)15-7-10-8-3-1-2-4-9(8)11(18)17-16-10/h1-4H,5-7H2,(H,17,18)(H2,14,15,19)