N-[[2-methyl-5-(3-methyl-4-oxidanylidene-phthalazin-1-yl)phenyl]methyl]butanamide

Systemtic Name: N-[[2-methyl-5-(3-methyl-4-oxidanylidene-phthalazin-1-yl)phenyl]methyl]butanamide Openeye Name: N-[[2-methyl-5-(3-methyl-4-oxo-phthalazin-1-yl)phenyl]methyl]butanamide CAS Name: N-[[2-methyl-5-(3-methyl-4-oxo-1-phthalazinyl)phenyl]methyl]butanamide IUPAC Name: N-[[2-methyl-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]butanamide Traditional Name: N-[5-(4-keto-3-methyl-phthalazin-1-yl)-2-methyl-benzyl]butyramide Formula: C21H23N3O2 MolecularWeight: 349.42622

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NCC1=C(C=CC(=C1)C2=NN(C(=O)C3=CC=CC=C32)C)C

Isomeric SMILES

CCCC(=O)NCC1=C(C=CC(=C1)C2=NN(C(=O)C3=CC=CC=C32)C)C

InChI

InChI=1S/C21H23N3O2/c1-4-7-19(25)22-13-16-12-15(11-10-14(16)2)20-17-8-5-6-9-18(17)21(26)24(3)23-20/h5-6,8-12H,4,7,13H2,1-3H3,(H,22,25)