methyl N-[3-[(4-oxidanylidene-3H-phthalazin-1-yl)amino]propylcarbamoyl]carbamate

Systemtic Name: methyl N-[3-[(4-oxidanylidene-3H-phthalazin-1-yl)amino]propylcarbamoyl]carbamate Openeye Name: methyl N-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propylcarbamoyl]carbamate CAS Name: N-[oxo-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propylamino]methyl]carbamic acid methyl ester IUPAC Name: methyl N-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propylcarbamoyl]carbamate Traditional Name: N-[3-[(4-keto-3H-phthalazin-1-yl)amino]propylcarbamoyl]carbamic acid methyl ester Formula: C14H17N5O4 MolecularWeight: 319.31588

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC(=O)NCCCNC1=NNC(=O)C2=CC=CC=C21

Isomeric SMILES

COC(=O)NC(=O)NCCCNC1=NNC(=O)C2=CC=CC=C21

InChI

InChI=1S/C14H17N5O4/c1-23-14(22)17-13(21)16-8-4-7-15-11-9-5-2-3-6-10(9)12(20)19-18-11/h2-3,5-6H,4,7-8H2,1H3,(H,15,18)(H,19,20)(H2,16,17,21,22)