1-(1-adamantyl)-N-[2-(4-methylphenyl)ethyl]-4-nitro-pyrazole-3-carboxamide

Systemtic Name: 1-(1-adamantyl)-N-[2-(4-methylphenyl)ethyl]-4-nitro-pyrazole-3-carboxamide Openeye Name: 1-(1-adamantyl)-4-nitro-N-[2-(p-tolyl)ethyl]pyrazole-3-carboxamide CAS Name: 1-(1-adamantyl)-N-[2-(4-methylphenyl)ethyl]-4-nitro-3-pyrazolecarboxamide IUPAC Name: 1-(1-adamantyl)-N-[2-(4-methylphenyl)ethyl]-4-nitropyrazole-3-carboxamide Traditional Name: 1-(1-adamantyl)-4-nitro-N-[2-(p-tolyl)ethyl]pyrazole-3-carboxamide Formula: C23H28N4O3 MolecularWeight: 408.49342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CCNC(=O)C2=NN(C=C2[N+](=O)[O-])C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=CC=C(C=C1)CCNC(=O)C2=NN(C=C2[N+](=O)[O-])C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H28N4O3/c1-15-2-4-16(5-3-15)6-7-24-22(28)21-20(27(29)30)14-26(25-21)23-11-17-8-18(12-23)10-19(9-17)13-23/h2-5,14,17-19H,6-13H2,1H3,(H,24,28)