N-(2-azanyl-2-oxidanylidene-ethyl)-1-[5-nitro-6-[4-(phenylmethyl)piperidin-1-yl]pyrimidin-4-yl]pyrrolidine-2-carboxamide

Systemtic Name: N-(2-azanyl-2-oxidanylidene-ethyl)-1-[5-nitro-6-[4-(phenylmethyl)piperidin-1-yl]pyrimidin-4-yl]pyrrolidine-2-carboxamide Openeye Name: N-(2-amino-2-oxo-ethyl)-1-[6-(4-benzyl-1-piperidyl)-5-nitro-pyrimidin-4-yl]pyrrolidine-2-carboxamide CAS Name: N-(2-amino-2-oxoethyl)-1-[5-nitro-6-[4-(phenylmethyl)-1-piperidinyl]-4-pyrimidinyl]-2-pyrrolidinecarboxamide IUPAC Name: N-(2-amino-2-oxoethyl)-1-[6-(4-benzylpiperidin-1-yl)-5-nitropyrimidin-4-yl]pyrrolidine-2-carboxamide Traditional Name: N-(2-amino-2-keto-ethyl)-1-[6-(4-benzylpiperidino)-5-nitro-pyrimidin-4-yl]pyrrolidine-2-carboxamide Formula: C23H29N7O4 MolecularWeight: 467.52086

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C2=NC=NC(=C2[N+](=O)[O-])N3CCC(CC3)CC4=CC=CC=C4)C(=O)NCC(=O)N

Isomeric SMILES

C1CC(N(C1)C2=NC=NC(=C2[N+](=O)[O-])N3CCC(CC3)CC4=CC=CC=C4)C(=O)NCC(=O)N

InChI

InChI=1S/C23H29N7O4/c24-19(31)14-25-23(32)18-7-4-10-29(18)22-20(30(33)34)21(26-15-27-22)28-11-8-17(9-12-28)13-16-5-2-1-3-6-16/h1-3,5-6,15,17-18H,4,7-14H2,(H2,24,31)(H,25,32)