N-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]-4-oxidanylidene-3-phenyl-phthalazine-1-carboxamide

Systemtic Name: N-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]-4-oxidanylidene-3-phenyl-phthalazine-1-carboxamide Openeye Name: N-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]-4-oxo-3-phenyl-phthalazine-1-carboxamide CAS Name: N-[(2R)-2-(3-methoxyphenyl)-2-(1-pyrrolidinyl)ethyl]-4-oxo-3-phenyl-1-phthalazinecarboxamide IUPAC Name: N-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-oxo-3-phenylphthalazine-1-carboxamide Traditional Name: 4-keto-N-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidino-ethyl]-3-phenyl-phthalazine-1-carboxamide Formula: C28H28N4O3 MolecularWeight: 468.54692

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(CNC(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC=CC=C4)N5CCCC5

Isomeric SMILES

COC1=CC=CC(=C1)[C@H](CNC(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC=CC=C4)N5CCCC5

InChI

InChI=1S/C28H28N4O3/c1-35-22-13-9-10-20(18-22)25(31-16-7-8-17-31)19-29-27(33)26-23-14-5-6-15-24(23)28(34)32(30-26)21-11-3-2-4-12-21/h2-6,9-15,18,25H,7-8,16-17,19H2,1H3,(H,29,33)/t25-/m0/s1