N-(2-azanyl-2-oxidanylidene-ethyl)-1-[5-nitro-6-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pyrimidin-4-yl]pyrrolidine-2-carboxamide

Systemtic Name: N-(2-azanyl-2-oxidanylidene-ethyl)-1-[5-nitro-6-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pyrimidin-4-yl]pyrrolidine-2-carboxamide Openeye Name: N-(2-amino-2-oxo-ethyl)-1-[5-nitro-6-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pyrimidin-4-yl]pyrrolidine-2-carboxamide CAS Name: N-(2-amino-2-oxoethyl)-1-[5-nitro-6-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-4-pyrimidinyl]-2-pyrrolidinecarboxamide IUPAC Name: N-(2-amino-2-oxoethyl)-1-[5-nitro-6-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pyrimidin-4-yl]pyrrolidine-2-carboxamide Traditional Name: N-(2-amino-2-keto-ethyl)-1-[5-nitro-6-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pyrimidin-4-yl]pyrrolidine-2-carboxamide Formula: C22H25N7O4 MolecularWeight: 451.4784

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C2=NC=NC(=C2[N+](=O)[O-])N3CCC(=CC3)C4=CC=CC=C4)C(=O)NCC(=O)N

Isomeric SMILES

C1CC(N(C1)C2=NC=NC(=C2[N+](=O)[O-])N3CCC(=CC3)C4=CC=CC=C4)C(=O)NCC(=O)N

InChI

InChI=1S/C22H25N7O4/c23-18(30)13-24-22(31)17-7-4-10-28(17)21-19(29(32)33)20(25-14-26-21)27-11-8-16(9-12-27)15-5-2-1-3-6-15/h1-3,5-6,8,14,17H,4,7,9-13H2,(H2,23,30)(H,24,31)