4-oxidanylidene-3-[2-oxidanylidene-2-[(phenylmethyl)-propan-2-yl-amino]ethyl]phthalazine-1-carboxylic acid

Systemtic Name: 4-oxidanylidene-3-[2-oxidanylidene-2-[(phenylmethyl)-propan-2-yl-amino]ethyl]phthalazine-1-carboxylic acid Openeye Name: 3-[2-[benzyl(isopropyl)amino]-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 4-oxo-3-[2-oxo-2-[(phenylmethyl)-propan-2-ylamino]ethyl]-1-phthalazinecarboxylic acid IUPAC Name: 3-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-[2-[benzyl(isopropyl)amino]-2-keto-ethyl]-4-keto-phthalazine-1-carboxylic acid Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC1=CC=CC=C1)C(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O

Isomeric SMILES

CC(C)N(CC1=CC=CC=C1)C(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O

InChI

InChI=1S/C21H21N3O4/c1-14(2)23(12-15-8-4-3-5-9-15)18(25)13-24-20(26)17-11-7-6-10-16(17)19(22-24)21(27)28/h3-11,14H,12-13H2,1-2H3,(H,27,28)