N-butyl-3-[4-(4-methylphenyl)-1-oxidanylidene-phthalazin-2-yl]propanamide

Systemtic Name: N-butyl-3-[4-(4-methylphenyl)-1-oxidanylidene-phthalazin-2-yl]propanamide Openeye Name: N-butyl-3-[1-oxo-4-(p-tolyl)phthalazin-2-yl]propanamide CAS Name: N-butyl-3-[4-(4-methylphenyl)-1-oxo-2-phthalazinyl]propanamide IUPAC Name: N-butyl-3-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]propanamide Traditional Name: N-butyl-3-[1-keto-4-(p-tolyl)phthalazin-2-yl]propionamide Formula: C22H25N3O2 MolecularWeight: 363.4528

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CCN1C(=O)C2=CC=CC=C2C(=N1)C3=CC=C(C=C3)C

Isomeric SMILES

CCCCNC(=O)CCN1C(=O)C2=CC=CC=C2C(=N1)C3=CC=C(C=C3)C

InChI

InChI=1S/C22H25N3O2/c1-3-4-14-23-20(26)13-15-25-22(27)19-8-6-5-7-18(19)21(24-25)17-11-9-16(2)10-12-17/h5-12H,3-4,13-15H2,1-2H3,(H,23,26)