3-(1-adamantyl)-N-(4-methyl-3,5-dinitro-phenyl)-1-phenyl-pyrazole-4-carboxamide

Systemtic Name: 3-(1-adamantyl)-N-(4-methyl-3,5-dinitro-phenyl)-1-phenyl-pyrazole-4-carboxamide Openeye Name: 3-(1-adamantyl)-N-(4-methyl-3,5-dinitro-phenyl)-1-phenyl-pyrazole-4-carboxamide CAS Name: 3-(1-adamantyl)-N-(4-methyl-3,5-dinitrophenyl)-1-phenyl-4-pyrazolecarboxamide IUPAC Name: 3-(1-adamantyl)-N-(4-methyl-3,5-dinitrophenyl)-1-phenylpyrazole-4-carboxamide Traditional Name: 3-(1-adamantyl)-N-(4-methyl-3,5-dinitro-phenyl)-1-phenyl-pyrazole-4-carboxamide Formula: C27H27N5O5 MolecularWeight: 501.53378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1[N+](=O)[O-])NC(=O)C2=CN(N=C2C34CC5CC(C3)CC(C5)C4)C6=CC=CC=C6)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1[N+](=O)[O-])NC(=O)C2=CN(N=C2C34CC5CC(C3)CC(C5)C4)C6=CC=CC=C6)[N+](=O)[O-]

InChI

InChI=1S/C27H27N5O5/c1-16-23(31(34)35)10-20(11-24(16)32(36)37)28-26(33)22-15-30(21-5-3-2-4-6-21)29-25(22)27-12-17-7-18(13-27)9-19(8-17)14-27/h2-6,10-11,15,17-19H,7-9,12-14H2,1H3,(H,28,33)