4-[4-(6-imidazol-2-ylidene-5H-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)phenyl]morpholine

Systemtic Name: 4-[4-(6-imidazol-2-ylidene-5H-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)phenyl]morpholine Openeye Name: 4-[4-(6-imidazol-2-ylidene-5H-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)phenyl]morpholine CAS Name: 4-[4-[6-(2-imidazolylidene)-5H-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]phenyl]morpholine IUPAC Name: 4-[4-(6-imidazol-2-ylidene-5H-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)phenyl]morpholine Traditional Name: 4-[4-(6-imidazol-2-ylidene-5H-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)phenyl]morpholine Formula: C22H19N7O MolecularWeight: 397.43256

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC=C(C=C2)C3=NN=C4N3NC(=C5N=CC=N5)C6=CC=CC=C64

Isomeric SMILES

C1COCCN1C2=CC=C(C=C2)C3=NN=C4N3NC(=C5N=CC=N5)C6=CC=CC=C64

InChI

InChI=1S/C22H19N7O/c1-2-4-18-17(3-1)19(20-23-9-10-24-20)27-29-21(25-26-22(18)29)15-5-7-16(8-6-15)28-11-13-30-14-12-28/h1-10,27H,11-14H2