methyl 4-[[(3-hexyl-4-oxidanylidene-phthalazin-1-yl)carbonylamino]methyl]benzoate

Systemtic Name: methyl 4-[[(3-hexyl-4-oxidanylidene-phthalazin-1-yl)carbonylamino]methyl]benzoate Openeye Name: methyl 4-[[(3-hexyl-4-oxo-phthalazine-1-carbonyl)amino]methyl]benzoate CAS Name: 4-[[[(3-hexyl-4-oxo-1-phthalazinyl)-oxomethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(3-hexyl-4-oxophthalazine-1-carbonyl)amino]methyl]benzoate Traditional Name: 4-[[(3-hexyl-4-keto-phthalazine-1-carbonyl)amino]methyl]benzoic acid methyl ester Formula: C24H27N3O4 MolecularWeight: 421.48888

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C24H27N3O4/c1-3-4-5-8-15-27-23(29)20-10-7-6-9-19(20)21(26-27)22(28)25-16-17-11-13-18(14-12-17)24(30)31-2/h6-7,9-14H,3-5,8,15-16H2,1-2H3,(H,25,28)