1-(1-adamantyl)-4-nitro-N-[1-(3-pyrrol-1-ylphenyl)ethyl]pyrazole-3-carboxamide

Systemtic Name: 1-(1-adamantyl)-4-nitro-N-[1-(3-pyrrol-1-ylphenyl)ethyl]pyrazole-3-carboxamide Openeye Name: 1-(1-adamantyl)-4-nitro-N-[1-(3-pyrrol-1-ylphenyl)ethyl]pyrazole-3-carboxamide CAS Name: 1-(1-adamantyl)-4-nitro-N-[1-[3-(1-pyrrolyl)phenyl]ethyl]-3-pyrazolecarboxamide IUPAC Name: 1-(1-adamantyl)-4-nitro-N-[1-(3-pyrrol-1-ylphenyl)ethyl]pyrazole-3-carboxamide Traditional Name: 1-(1-adamantyl)-4-nitro-N-[1-(3-pyrrol-1-ylphenyl)ethyl]pyrazole-3-carboxamide Formula: C26H29N5O3 MolecularWeight: 459.54016

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)N2C=CC=C2)NC(=O)C3=NN(C=C3[N+](=O)[O-])C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC(C1=CC(=CC=C1)N2C=CC=C2)NC(=O)C3=NN(C=C3[N+](=O)[O-])C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C26H29N5O3/c1-17(21-5-4-6-22(12-21)29-7-2-3-8-29)27-25(32)24-23(31(33)34)16-30(28-24)26-13-18-9-19(14-26)11-20(10-18)15-26/h2-8,12,16-20H,9-11,13-15H2,1H3,(H,27,32)