N-[4-[4-(phenylmethyl)piperazin-1-yl]phenyl]adamantane-1-carboxamide

Systemtic Name: N-[4-[4-(phenylmethyl)piperazin-1-yl]phenyl]adamantane-1-carboxamide Openeye Name: N-[4-(4-benzylpiperazin-1-yl)phenyl]adamantane-1-carboxamide CAS Name: N-[4-[4-(phenylmethyl)-1-piperazinyl]phenyl]-1-adamantanecarboxamide IUPAC Name: N-[4-(4-benzylpiperazin-1-yl)phenyl]adamantane-1-carboxamide Traditional Name: N-[4-(4-benzylpiperazino)phenyl]adamantane-1-carboxamide Formula: C28H35N3O MolecularWeight: 429.597

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C28H35N3O/c32-27(28-17-22-14-23(18-28)16-24(15-22)19-28)29-25-6-8-26(9-7-25)31-12-10-30(11-13-31)20-21-4-2-1-3-5-21/h1-9,22-24H,10-20H2,(H,29,32)