2-(4-oxidanylidene-3H-phthalazin-1-yl)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]ethanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2=CC(=CC=C2)NC(=O)CC3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

C1CCN(C1)CC2=CC(=CC=C2)NC(=O)CC3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C21H22N4O2/c26-20(13-19-17-8-1-2-9-18(17)21(27)24-23-19)22-16-7-5-6-15(12-16)14-25-10-3-4-11-25/h1-2,5-9,12H,3-4,10-11,13-14H2,(H,22,26)(H,24,27)