4-azanyl-N-[[3-(4-oxidanylidene-3H-phthalazin-1-yl)phenyl]methyl]butanamide

Systemtic Name: 4-azanyl-N-[[3-(4-oxidanylidene-3H-phthalazin-1-yl)phenyl]methyl]butanamide Openeye Name: 4-amino-N-[[3-(4-oxo-3H-phthalazin-1-yl)phenyl]methyl]butanamide CAS Name: 4-amino-N-[[3-(4-oxo-3H-phthalazin-1-yl)phenyl]methyl]butanamide IUPAC Name: 4-amino-N-[[3-(4-oxo-3H-phthalazin-1-yl)phenyl]methyl]butanamide Traditional Name: 4-amino-N-[3-(4-keto-3H-phthalazin-1-yl)benzyl]butyramide Formula: C19H20N4O2 MolecularWeight: 336.3877

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NNC2=O)C3=CC(=CC=C3)CNC(=O)CCCN

Isomeric SMILES

C1=CC=C2C(=C1)C(=NNC2=O)C3=CC(=CC=C3)CNC(=O)CCCN

InChI

InChI=1S/C19H20N4O2/c20-10-4-9-17(24)21-12-13-5-3-6-14(11-13)18-15-7-1-2-8-16(15)19(25)23-22-18/h1-3,5-8,11H,4,9-10,12,20H2,(H,21,24)(H,23,25)