N-(1-adamantyl)-4-[(3-bromophenyl)methyl]piperazine-1-carboxamide

Systemtic Name: N-(1-adamantyl)-4-[(3-bromophenyl)methyl]piperazine-1-carboxamide Openeye Name: N-(1-adamantyl)-4-[(3-bromophenyl)methyl]piperazine-1-carboxamide CAS Name: N-(1-adamantyl)-4-[(3-bromophenyl)methyl]-1-piperazinecarboxamide IUPAC Name: N-(1-adamantyl)-4-[(3-bromophenyl)methyl]piperazine-1-carboxamide Traditional Name: N-(1-adamantyl)-4-(3-bromobenzyl)piperazine-1-carboxamide Formula: C22H30BrN3O MolecularWeight: 432.3971

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC(=CC=C2)Br)C(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1CN(CCN1CC2=CC(=CC=C2)Br)C(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H30BrN3O/c23-20-3-1-2-16(11-20)15-25-4-6-26(7-5-25)21(27)24-22-12-17-8-18(13-22)10-19(9-17)14-22/h1-3,11,17-19H,4-10,12-15H2,(H,24,27)