3-(1-adamantyl)-N-methyl-1-phenyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrazole-4-carboxamide

Systemtic Name: 3-(1-adamantyl)-N-methyl-1-phenyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrazole-4-carboxamide Openeye Name: 3-(1-adamantyl)-N-methyl-1-phenyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrazole-4-carboxamide CAS Name: 3-(1-adamantyl)-N-methyl-1-phenyl-N-[[4-(1-pyrazolyl)phenyl]methyl]-4-pyrazolecarboxamide IUPAC Name: 3-(1-adamantyl)-N-methyl-1-phenyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrazole-4-carboxamide Traditional Name: 3-(1-adamantyl)-N-methyl-1-phenyl-N-(4-pyrazol-1-ylbenzyl)pyrazole-4-carboxamide Formula: C31H33N5O MolecularWeight: 491.62662

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)N2C=CC=N2)C(=O)C3=CN(N=C3C45CC6CC(C4)CC(C6)C5)C7=CC=CC=C7

Isomeric SMILES

CN(CC1=CC=C(C=C1)N2C=CC=N2)C(=O)C3=CN(N=C3C45CC6CC(C4)CC(C6)C5)C7=CC=CC=C7

InChI

InChI=1S/C31H33N5O/c1-34(20-22-8-10-27(11-9-22)35-13-5-12-32-35)30(37)28-21-36(26-6-3-2-4-7-26)33-29(28)31-17-23-14-24(18-31)16-25(15-23)19-31/h2-13,21,23-25H,14-20H2,1H3