N-(3-methyl-4-pyrrolidin-1-yl-phenyl)-2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanamide

Systemtic Name: N-(3-methyl-4-pyrrolidin-1-yl-phenyl)-2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanamide Openeye Name: N-(3-methyl-4-pyrrolidin-1-yl-phenyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide CAS Name: N-[3-methyl-4-(1-pyrrolidinyl)phenyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide IUPAC Name: N-(3-methyl-4-pyrrolidin-1-ylphenyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide Traditional Name: 2-(4-keto-3H-phthalazin-1-yl)-N-(3-methyl-4-pyrrolidino-phenyl)acetamide Formula: C21H22N4O2 MolecularWeight: 362.42498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)CC2=NNC(=O)C3=CC=CC=C32)N4CCCC4

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)CC2=NNC(=O)C3=CC=CC=C32)N4CCCC4

InChI

InChI=1S/C21H22N4O2/c1-14-12-15(8-9-19(14)25-10-4-5-11-25)22-20(26)13-18-16-6-2-3-7-17(16)21(27)24-23-18/h2-3,6-9,12H,4-5,10-11,13H2,1H3,(H,22,26)(H,24,27)