[2-oxidanylidene-2-(1-phenylethylamino)ethyl] 3-(3-methylbutyl)-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: [2-oxidanylidene-2-(1-phenylethylamino)ethyl] 3-(3-methylbutyl)-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [2-oxo-2-(1-phenylethylamino)ethyl] 3-isopentyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-(3-methylbutyl)-4-oxo-1-phthalazinecarboxylic acid [2-oxo-2-(1-phenylethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(1-phenylethylamino)ethyl] 3-(3-methylbutyl)-4-oxophthalazine-1-carboxylate Traditional Name: 3-isoamyl-4-keto-phthalazine-1-carboxylic acid [2-keto-2-(1-phenylethylamino)ethyl] ester Formula: C24H27N3O4 MolecularWeight: 421.48888

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)NC(C)C3=CC=CC=C3

Isomeric SMILES

CC(C)CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)NC(C)C3=CC=CC=C3

InChI

InChI=1S/C24H27N3O4/c1-16(2)13-14-27-23(29)20-12-8-7-11-19(20)22(26-27)24(30)31-15-21(28)25-17(3)18-9-5-4-6-10-18/h4-12,16-17H,13-15H2,1-3H3,(H,25,28)