N-(2-azanyl-2-oxidanylidene-ethyl)-1-[6-[4-(3-chlorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]pyrrolidine-2-carboxamide

Systemtic Name: N-(2-azanyl-2-oxidanylidene-ethyl)-1-[6-[4-(3-chlorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]pyrrolidine-2-carboxamide Openeye Name: N-(2-amino-2-oxo-ethyl)-1-[6-[4-(3-chlorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]pyrrolidine-2-carboxamide CAS Name: N-(2-amino-2-oxoethyl)-1-[6-[4-(3-chlorophenyl)-1-piperazinyl]-5-nitro-4-pyrimidinyl]-2-pyrrolidinecarboxamide IUPAC Name: N-(2-amino-2-oxoethyl)-1-[6-[4-(3-chlorophenyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]pyrrolidine-2-carboxamide Traditional Name: N-(2-amino-2-keto-ethyl)-1-[6-[4-(3-chlorophenyl)piperazino]-5-nitro-pyrimidin-4-yl]pyrrolidine-2-carboxamide Formula: C21H25ClN8O4 MolecularWeight: 488.9274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC(=CC=C4)Cl)C(=O)NCC(=O)N

Isomeric SMILES

C1CC(N(C1)C2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC(=CC=C4)Cl)C(=O)NCC(=O)N

InChI

InChI=1S/C21H25ClN8O4/c22-14-3-1-4-15(11-14)27-7-9-28(10-8-27)19-18(30(33)34)20(26-13-25-19)29-6-2-5-16(29)21(32)24-12-17(23)31/h1,3-4,11,13,16H,2,5-10,12H2,(H2,23,31)(H,24,32)