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

Systemtic Name: N-(1-adamantyl)-4-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl]-3-methyl-piperazine-1-carboxamide Openeye Name: N-(1-adamantyl)-4-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl]-3-methyl-piperazine-1-carboxamide CAS Name: N-(1-adamantyl)-4-[[3-[(4-cyanophenyl)methyl]-4-imidazolyl]methyl]-3-methyl-1-piperazinecarboxamide IUPAC Name: N-(1-adamantyl)-4-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl]-3-methylpiperazine-1-carboxamide Traditional Name: N-(1-adamantyl)-4-[[3-(4-cyanobenzyl)imidazol-4-yl]methyl]-3-methyl-piperazine-1-carboxamide Formula: C28H36N6O MolecularWeight: 472.62504

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1CC2=CN=CN2CC3=CC=C(C=C3)C#N)C(=O)NC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC1CN(CCN1CC2=CN=CN2CC3=CC=C(C=C3)C#N)C(=O)NC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C28H36N6O/c1-20-16-33(27(35)31-28-11-23-8-24(12-28)10-25(9-23)13-28)7-6-32(20)18-26-15-30-19-34(26)17-22-4-2-21(14-29)3-5-22/h2-5,15,19-20,23-25H,6-13,16-18H2,1H3,(H,31,35)