methyl N-[5-(4-oxidanylidene-4aH-phthalazin-1-yl)-3aH-benzimidazol-2-yl]carbamate

Systemtic Name: methyl N-[5-(4-oxidanylidene-4aH-phthalazin-1-yl)-3aH-benzimidazol-2-yl]carbamate Openeye Name: methyl N-[5-(4-oxo-4aH-phthalazin-1-yl)-3aH-benzimidazol-2-yl]carbamate CAS Name: N-[5-(4-oxo-4aH-phthalazin-1-yl)-3aH-benzimidazol-2-yl]carbamic acid methyl ester IUPAC Name: methyl N-[5-(4-oxo-4aH-phthalazin-1-yl)-3aH-benzimidazol-2-yl]carbamate Traditional Name: N-[5-(4-keto-4aH-phthalazin-1-yl)-3aH-benzimidazol-2-yl]carbamic acid methyl ester Formula: C17H13N5O3 MolecularWeight: 335.31682

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC1=NC2C=C(C=CC2=N1)C3=C4C=CC=CC4C(=O)N=N3

Isomeric SMILES

COC(=O)NC1=NC2C=C(C=CC2=N1)C3=C4C=CC=CC4C(=O)N=N3

InChI

InChI=1S/C17H13N5O3/c1-25-17(24)20-16-18-12-7-6-9(8-13(12)19-16)14-10-4-2-3-5-11(10)15(23)22-21-14/h2-8,11,13H,1H3,(H,19,20,24)