N-(1-adamantyl)-N-methyl-4-[(4-nitropyrazol-1-yl)methyl]benzamide

Systemtic Name: N-(1-adamantyl)-N-methyl-4-[(4-nitropyrazol-1-yl)methyl]benzamide Openeye Name: N-(1-adamantyl)-N-methyl-4-[(4-nitropyrazol-1-yl)methyl]benzamide CAS Name: N-(1-adamantyl)-N-methyl-4-[(4-nitro-1-pyrazolyl)methyl]benzamide IUPAC Name: N-(1-adamantyl)-N-methyl-4-[(4-nitropyrazol-1-yl)methyl]benzamide Traditional Name: N-(1-adamantyl)-N-methyl-4-[(4-nitropyrazol-1-yl)methyl]benzamide Formula: C22H26N4O3 MolecularWeight: 394.46684

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)C1=CC=C(C=C1)CN2C=C(C=N2)[N+](=O)[O-])C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CN(C(=O)C1=CC=C(C=C1)CN2C=C(C=N2)[N+](=O)[O-])C34CC5CC(C3)CC(C5)C4

InChI

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