N-[2-(2-chlorophenyl)-2-pyrrolidin-1-yl-ethyl]-4-oxidanylidene-3H-phthalazine-1-carboxamide

Systemtic Name: N-[2-(2-chlorophenyl)-2-pyrrolidin-1-yl-ethyl]-4-oxidanylidene-3H-phthalazine-1-carboxamide Openeye Name: N-[2-(2-chlorophenyl)-2-pyrrolidin-1-yl-ethyl]-4-oxo-3H-phthalazine-1-carboxamide CAS Name: N-[2-(2-chlorophenyl)-2-(1-pyrrolidinyl)ethyl]-4-oxo-3H-phthalazine-1-carboxamide IUPAC Name: N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-oxo-3H-phthalazine-1-carboxamide Traditional Name: N-[2-(2-chlorophenyl)-2-pyrrolidino-ethyl]-4-keto-3H-phthalazine-1-carboxamide Formula: C21H21ClN4O2 MolecularWeight: 396.87004

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(CNC(=O)C2=NNC(=O)C3=CC=CC=C32)C4=CC=CC=C4Cl

Isomeric SMILES

C1CCN(C1)C(CNC(=O)C2=NNC(=O)C3=CC=CC=C32)C4=CC=CC=C4Cl

InChI

InChI=1S/C21H21ClN4O2/c22-17-10-4-3-9-16(17)18(26-11-5-6-12-26)13-23-21(28)19-14-7-1-2-8-15(14)20(27)25-24-19/h1-4,7-10,18H,5-6,11-13H2,(H,23,28)(H,25,27)