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

Systemtic Name: 4-oxidanylidene-N-[3-(propanoylamino)phenyl]-3-propyl-phthalazine-1-carboxamide Openeye Name: 4-oxo-N-[3-(propanoylamino)phenyl]-3-propyl-phthalazine-1-carboxamide CAS Name: 4-oxo-N-[3-(1-oxopropylamino)phenyl]-3-propyl-1-phthalazinecarboxamide IUPAC Name: 4-oxo-N-[3-(propanoylamino)phenyl]-3-propylphthalazine-1-carboxamide Traditional Name: 4-keto-N-(3-propionamidophenyl)-3-propyl-phthalazine-1-carboxamide Formula: C21H22N4O3 MolecularWeight: 378.42438

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O3/c1-3-12-25-21(28)17-11-6-5-10-16(17)19(24-25)20(27)23-15-9-7-8-14(13-15)22-18(26)4-2/h5-11,13H,3-4,12H2,1-2H3,(H,22,26)(H,23,27)