N-[4-(2-methylpropanoylamino)phenyl]-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide

Systemtic Name: N-[4-(2-methylpropanoylamino)phenyl]-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide Openeye Name: N-[4-(2-methylpropanoylamino)phenyl]-4-oxo-3-propyl-phthalazine-1-carboxamide CAS Name: N-[4-[(2-methyl-1-oxopropyl)amino]phenyl]-4-oxo-3-propyl-1-phthalazinecarboxamide IUPAC Name: N-[4-(2-methylpropanoylamino)phenyl]-4-oxo-3-propylphthalazine-1-carboxamide Traditional Name: N-[4-(isobutyrylamino)phenyl]-4-keto-3-propyl-phthalazine-1-carboxamide Formula: C22H24N4O3 MolecularWeight: 392.45096

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=C(C=C3)NC(=O)C(C)C

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=C(C=C3)NC(=O)C(C)C

InChI

InChI=1S/C22H24N4O3/c1-4-13-26-22(29)18-8-6-5-7-17(18)19(25-26)21(28)24-16-11-9-15(10-12-16)23-20(27)14(2)3/h5-12,14H,4,13H2,1-3H3,(H,23,27)(H,24,28)