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

Systemtic Name: N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-yl-ethyl]-3-methyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-[(2R)-2-(2-furyl)-2-pyrrolidin-1-yl-ethyl]-3-methyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[(2R)-2-(2-furanyl)-2-(1-pyrrolidinyl)ethyl]-3-methyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-methyl-4-oxophthalazine-1-carboxamide Traditional Name: N-[(2R)-2-(2-furyl)-2-pyrrolidino-ethyl]-4-keto-3-methyl-phthalazine-1-carboxamide Formula: C20H22N4O3 MolecularWeight: 366.41368

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC(C3=CC=CO3)N4CCCC4

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC[C@H](C3=CC=CO3)N4CCCC4

InChI

InChI=1S/C20H22N4O3/c1-23-20(26)15-8-3-2-7-14(15)18(22-23)19(25)21-13-16(17-9-6-12-27-17)24-10-4-5-11-24/h2-3,6-9,12,16H,4-5,10-11,13H2,1H3,(H,21,25)/t16-/m1/s1