N-(1-adamantyl)-4-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl]piperazine-1-carboxamide

Systemtic Name: N-(1-adamantyl)-4-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl]piperazine-1-carboxamide Openeye Name: N-(1-adamantyl)-4-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl]piperazine-1-carboxamide CAS Name: N-(1-adamantyl)-4-[[3-[(4-cyanophenyl)methyl]-4-imidazolyl]methyl]-1-piperazinecarboxamide IUPAC Name: N-(1-adamantyl)-4-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl]piperazine-1-carboxamide Traditional Name: N-(1-adamantyl)-4-[[3-(4-cyanobenzyl)imidazol-4-yl]methyl]piperazine-1-carboxamide Formula: C27H34N6O MolecularWeight: 458.59846

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CN=CN2CC3=CC=C(C=C3)C#N)C(=O)NC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C1CN(CCN1CC2=CN=CN2CC3=CC=C(C=C3)C#N)C(=O)NC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C27H34N6O/c28-15-20-1-3-21(4-2-20)17-33-19-29-16-25(33)18-31-5-7-32(8-6-31)26(34)30-27-12-22-9-23(13-27)11-24(10-22)14-27/h1-4,16,19,22-24H,5-14,17-18H2,(H,30,34)