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

Systemtic Name: 1-(1-adamantyl)-N-(2-diethylaminoethyl)-4-nitro-pyrazole-3-carboxamide Openeye Name: 1-(1-adamantyl)-N-(2-diethylaminoethyl)-4-nitro-pyrazole-3-carboxamide CAS Name: 1-(1-adamantyl)-N-(2-diethylaminoethyl)-4-nitro-3-pyrazolecarboxamide IUPAC Name: 1-(1-adamantyl)-N-(2-diethylaminoethyl)-4-nitropyrazole-3-carboxamide Traditional Name: 1-(1-adamantyl)-N-(2-diethylaminoethyl)-4-nitro-pyrazole-3-carboxamide Formula: C20H31N5O3 MolecularWeight: 389.49184

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H31N5O3/c1-3-23(4-2)6-5-21-19(26)18-17(25(27)28)13-24(22-18)20-10-14-7-15(11-20)9-16(8-14)12-20/h13-16H,3-12H2,1-2H3,(H,21,26)