N-[4-(2-methoxyethanoylamino)phenyl]-4-oxidanylidene-3-propan-2-yl-phthalazine-1-carboxamide

Systemtic Name: N-[4-(2-methoxyethanoylamino)phenyl]-4-oxidanylidene-3-propan-2-yl-phthalazine-1-carboxamide Openeye Name: 3-isopropyl-N-[4-[(2-methoxyacetyl)amino]phenyl]-4-oxo-phthalazine-1-carboxamide CAS Name: N-[4-[(2-methoxy-1-oxoethyl)amino]phenyl]-4-oxo-3-propan-2-yl-1-phthalazinecarboxamide IUPAC Name: N-[4-[(2-methoxyacetyl)amino]phenyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide Traditional Name: 3-isopropyl-4-keto-N-[4-[(2-methoxyacetyl)amino]phenyl]phthalazine-1-carboxamide Formula: C21H22N4O4 MolecularWeight: 394.42378

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=C(C=C3)NC(=O)COC

Isomeric SMILES

CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=C(C=C3)NC(=O)COC

InChI

InChI=1S/C21H22N4O4/c1-13(2)25-21(28)17-7-5-4-6-16(17)19(24-25)20(27)23-15-10-8-14(9-11-15)22-18(26)12-29-3/h4-11,13H,12H2,1-3H3,(H,22,26)(H,23,27)