quinolin-8-ylmethyl 3-hexyl-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: quinolin-8-ylmethyl 3-hexyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: 8-quinolylmethyl 3-hexyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-hexyl-4-oxo-1-phthalazinecarboxylic acid 8-quinolinylmethyl ester IUPAC Name: quinolin-8-ylmethyl 3-hexyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-hexyl-4-keto-phthalazine-1-carboxylic acid 8-quinolylmethyl ester Formula: C25H25N3O3 MolecularWeight: 415.4843

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=CC=CC4=C3N=CC=C4

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C25H25N3O3/c1-2-3-4-7-16-28-24(29)21-14-6-5-13-20(21)23(27-28)25(30)31-17-19-11-8-10-18-12-9-15-26-22(18)19/h5-6,8-15H,2-4,7,16-17H2,1H3