3-[2-[(2-methyl-1-phenyl-propyl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: 3-[2-[(2-methyl-1-phenyl-propyl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-[2-[(2-methyl-1-phenyl-propyl)amino]-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxamide CAS Name: 3-[2-[(2-methyl-1-phenylpropyl)amino]-2-oxoethyl]-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-[2-[(2-methyl-1-phenylpropyl)amino]-2-oxoethyl]-4-oxophthalazine-1-carboxamide Traditional Name: 4-keto-3-[2-keto-2-[(2-methyl-1-phenyl-propyl)amino]ethyl]phthalazine-1-carboxamide Formula: C21H22N4O3 MolecularWeight: 378.42438

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O3/c1-13(2)18(14-8-4-3-5-9-14)23-17(26)12-25-21(28)16-11-7-6-10-15(16)19(24-25)20(22)27/h3-11,13,18H,12H2,1-2H3,(H2,22,27)(H,23,26)