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

Systemtic Name: 2-azanyl-N-[[3-(4-oxidanylidene-3H-phthalazin-1-yl)phenyl]methyl]propanamide Openeye Name: 2-amino-N-[[3-(4-oxo-3H-phthalazin-1-yl)phenyl]methyl]propanamide CAS Name: 2-amino-N-[[3-(4-oxo-3H-phthalazin-1-yl)phenyl]methyl]propanamide IUPAC Name: 2-amino-N-[[3-(4-oxo-3H-phthalazin-1-yl)phenyl]methyl]propanamide Traditional Name: 2-amino-N-[3-(4-keto-3H-phthalazin-1-yl)benzyl]propionamide Formula: C18H18N4O2 MolecularWeight: 322.36112

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CC(=C1)C2=NNC(=O)C3=CC=CC=C32)N

Isomeric SMILES

CC(C(=O)NCC1=CC=CC(=C1)C2=NNC(=O)C3=CC=CC=C32)N

InChI

InChI=1S/C18H18N4O2/c1-11(19)17(23)20-10-12-5-4-6-13(9-12)16-14-7-2-3-8-15(14)18(24)22-21-16/h2-9,11H,10,19H2,1H3,(H,20,23)(H,22,24)