4-[2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-oxidanylidene-ethyl]-2H-phthalazin-1-one

Systemtic Name: 4-[2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-oxidanylidene-ethyl]-2H-phthalazin-1-one Openeye Name: 4-[2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-oxo-ethyl]-2H-phthalazin-1-one CAS Name: 4-[2-[2-(4-methoxyphenyl)-1-pyrrolidinyl]-2-oxoethyl]-2H-phthalazin-1-one IUPAC Name: 4-[2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-2H-phthalazin-1-one Traditional Name: 4-[2-keto-2-[2-(4-methoxyphenyl)pyrrolidino]ethyl]-2H-phthalazin-1-one Formula: C21H21N3O3 MolecularWeight: 363.40974

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CCCN2C(=O)CC3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

COC1=CC=C(C=C1)C2CCCN2C(=O)CC3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C21H21N3O3/c1-27-15-10-8-14(9-11-15)19-7-4-12-24(19)20(25)13-18-16-5-2-3-6-17(16)21(26)23-22-18/h2-3,5-6,8-11,19H,4,7,12-13H2,1H3,(H,23,26)