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

Systemtic Name: 3-(1-adamantyl)-1-phenyl-N-[1-(3-pyrrol-1-ylphenyl)ethyl]pyrazole-4-carboxamide Openeye Name: 3-(1-adamantyl)-1-phenyl-N-[1-(3-pyrrol-1-ylphenyl)ethyl]pyrazole-4-carboxamide CAS Name: 3-(1-adamantyl)-1-phenyl-N-[1-[3-(1-pyrrolyl)phenyl]ethyl]-4-pyrazolecarboxamide IUPAC Name: 3-(1-adamantyl)-1-phenyl-N-[1-(3-pyrrol-1-ylphenyl)ethyl]pyrazole-4-carboxamide Traditional Name: 3-(1-adamantyl)-1-phenyl-N-[1-(3-pyrrol-1-ylphenyl)ethyl]pyrazole-4-carboxamide Formula: C32H34N4O MolecularWeight: 490.63856

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)N2C=CC=C2)NC(=O)C3=CN(N=C3C45CC6CC(C4)CC(C6)C5)C7=CC=CC=C7

Isomeric SMILES

CC(C1=CC(=CC=C1)N2C=CC=C2)NC(=O)C3=CN(N=C3C45CC6CC(C4)CC(C6)C5)C7=CC=CC=C7

InChI

InChI=1S/C32H34N4O/c1-22(26-8-7-11-28(17-26)35-12-5-6-13-35)33-31(37)29-21-36(27-9-3-2-4-10-27)34-30(29)32-18-23-14-24(19-32)16-25(15-23)20-32/h2-13,17,21-25H,14-16,18-20H2,1H3,(H,33,37)