1-(1-adamantyl)-N-(1-methylpiperidin-4-yl)-4-nitro-pyrazole-3-carboxamide

Systemtic Name: 1-(1-adamantyl)-N-(1-methylpiperidin-4-yl)-4-nitro-pyrazole-3-carboxamide Openeye Name: 1-(1-adamantyl)-N-(1-methyl-4-piperidyl)-4-nitro-pyrazole-3-carboxamide CAS Name: 1-(1-adamantyl)-N-(1-methyl-4-piperidinyl)-4-nitro-3-pyrazolecarboxamide IUPAC Name: 1-(1-adamantyl)-N-(1-methylpiperidin-4-yl)-4-nitropyrazole-3-carboxamide Traditional Name: 1-(1-adamantyl)-N-(1-methyl-4-piperidyl)-4-nitro-pyrazole-3-carboxamide Formula: C20H29N5O3 MolecularWeight: 387.47596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)NC(=O)C2=NN(C=C2[N+](=O)[O-])C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CN1CCC(CC1)NC(=O)C2=NN(C=C2[N+](=O)[O-])C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C20H29N5O3/c1-23-4-2-16(3-5-23)21-19(26)18-17(25(27)28)12-24(22-18)20-9-13-6-14(10-20)8-15(7-13)11-20/h12-16H,2-11H2,1H3,(H,21,26)