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

Systemtic Name: 1-(1-adamantyl)-N-(2-cyanophenyl)-4-nitro-pyrazole-3-carboxamide Openeye Name: 1-(1-adamantyl)-N-(2-cyanophenyl)-4-nitro-pyrazole-3-carboxamide CAS Name: 1-(1-adamantyl)-N-(2-cyanophenyl)-4-nitro-3-pyrazolecarboxamide IUPAC Name: 1-(1-adamantyl)-N-(2-cyanophenyl)-4-nitropyrazole-3-carboxamide Traditional Name: 1-(1-adamantyl)-N-(2-cyanophenyl)-4-nitro-pyrazole-3-carboxamide Formula: C21H21N5O3 MolecularWeight: 391.42314

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)N4C=C(C(=N4)C(=O)NC5=CC=CC=C5C#N)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)N4C=C(C(=N4)C(=O)NC5=CC=CC=C5C#N)[N+](=O)[O-]

InChI

InChI=1S/C21H21N5O3/c22-11-16-3-1-2-4-17(16)23-20(27)19-18(26(28)29)12-25(24-19)21-8-13-5-14(9-21)7-15(6-13)10-21/h1-4,12-15H,5-10H2,(H,23,27)