4-oxidanylidene-3-[2-oxidanylidene-2-(4-phenylbutan-2-ylamino)ethyl]phthalazine-1-carboxylic acid

Systemtic Name: 4-oxidanylidene-3-[2-oxidanylidene-2-(4-phenylbutan-2-ylamino)ethyl]phthalazine-1-carboxylic acid Openeye Name: 3-[2-[(1-methyl-3-phenyl-propyl)amino]-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 4-oxo-3-[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl]-1-phthalazinecarboxylic acid IUPAC Name: 4-oxo-3-[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl]phthalazine-1-carboxylic acid Traditional Name: 4-keto-3-[2-keto-2-[(1-methyl-3-phenyl-propyl)amino]ethyl]phthalazine-1-carboxylic acid Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)NC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O

Isomeric SMILES

CC(CCC1=CC=CC=C1)NC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O

InChI

InChI=1S/C21H21N3O4/c1-14(11-12-15-7-3-2-4-8-15)22-18(25)13-24-20(26)17-10-6-5-9-16(17)19(23-24)21(27)28/h2-10,14H,11-13H2,1H3,(H,22,25)(H,27,28)