1-(1-adamantyl)-4-nitro-N-(3-propan-2-yloxypropyl)pyrazole-3-carboxamide

Systemtic Name: 1-(1-adamantyl)-4-nitro-N-(3-propan-2-yloxypropyl)pyrazole-3-carboxamide Openeye Name: 1-(1-adamantyl)-N-(3-isopropoxypropyl)-4-nitro-pyrazole-3-carboxamide CAS Name: 1-(1-adamantyl)-4-nitro-N-(3-propan-2-yloxypropyl)-3-pyrazolecarboxamide IUPAC Name: 1-(1-adamantyl)-4-nitro-N-(3-propan-2-yloxypropyl)pyrazole-3-carboxamide Traditional Name: 1-(1-adamantyl)-N-(3-isopropoxypropyl)-4-nitro-pyrazole-3-carboxamide Formula: C20H30N4O4 MolecularWeight: 390.4766

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCCCNC(=O)C1=NN(C=C1[N+](=O)[O-])C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC(C)OCCCNC(=O)C1=NN(C=C1[N+](=O)[O-])C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C20H30N4O4/c1-13(2)28-5-3-4-21-19(25)18-17(24(26)27)12-23(22-18)20-9-14-6-15(10-20)8-16(7-14)11-20/h12-16H,3-11H2,1-2H3,(H,21,25)