1-(1-adamantyl)-4-nitro-N-(1-phenylethyl)pyrazole-3-carboxamide

Systemtic Name: 1-(1-adamantyl)-4-nitro-N-(1-phenylethyl)pyrazole-3-carboxamide Openeye Name: 1-(1-adamantyl)-4-nitro-N-(1-phenylethyl)pyrazole-3-carboxamide CAS Name: 1-(1-adamantyl)-4-nitro-N-(1-phenylethyl)-3-pyrazolecarboxamide IUPAC Name: 1-(1-adamantyl)-4-nitro-N-(1-phenylethyl)pyrazole-3-carboxamide Traditional Name: 1-(1-adamantyl)-4-nitro-N-(1-phenylethyl)pyrazole-3-carboxamide Formula: C22H26N4O3 MolecularWeight: 394.46684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O3/c1-14(18-5-3-2-4-6-18)23-21(27)20-19(26(28)29)13-25(24-20)22-10-15-7-16(11-22)9-17(8-15)12-22/h2-6,13-17H,7-12H2,1H3,(H,23,27)