2-(4-chlorophenyl)-4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]carbonyl-phthalazin-1-one

Systemtic Name: 2-(4-chlorophenyl)-4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]carbonyl-phthalazin-1-one Openeye Name: 2-(4-chlorophenyl)-4-[(2S)-2-(methoxymethyl)pyrrolidine-1-carbonyl]phthalazin-1-one CAS Name: 2-(4-chlorophenyl)-4-[[(2S)-2-(methoxymethyl)-1-pyrrolidinyl]-oxomethyl]-1-phthalazinone IUPAC Name: 2-(4-chlorophenyl)-4-[(2S)-2-(methoxymethyl)pyrrolidine-1-carbonyl]phthalazin-1-one Traditional Name: 2-(4-chlorophenyl)-4-[(2S)-2-(methoxymethyl)pyrrolidine-1-carbonyl]phthalazin-1-one Formula: C21H20ClN3O3 MolecularWeight: 397.8548

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCC1CCCN1C(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC=C(C=C4)Cl

Isomeric SMILES

COC[C@@H]1CCCN1C(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H20ClN3O3/c1-28-13-16-5-4-12-24(16)21(27)19-17-6-2-3-7-18(17)20(26)25(23-19)15-10-8-14(22)9-11-15/h2-3,6-11,16H,4-5,12-13H2,1H3/t16-/m0/s1