[3-(1-adamantyl)-1-phenyl-pyrazol-4-yl]-[4-(phenylmethyl)piperazin-1-yl]methanone

Systemtic Name: [3-(1-adamantyl)-1-phenyl-pyrazol-4-yl]-[4-(phenylmethyl)piperazin-1-yl]methanone Openeye Name: [3-(1-adamantyl)-1-phenyl-pyrazol-4-yl]-(4-benzylpiperazin-1-yl)methanone CAS Name: [3-(1-adamantyl)-1-phenyl-4-pyrazolyl]-[4-(phenylmethyl)-1-piperazinyl]methanone IUPAC Name: [3-(1-adamantyl)-1-phenylpyrazol-4-yl]-(4-benzylpiperazin-1-yl)methanone Traditional Name: [3-(1-adamantyl)-1-phenyl-pyrazol-4-yl]-(4-benzylpiperazino)methanone Formula: C31H36N4O MolecularWeight: 480.64374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=CN(N=C3C45CC6CC(C4)CC(C6)C5)C7=CC=CC=C7

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=CN(N=C3C45CC6CC(C4)CC(C6)C5)C7=CC=CC=C7

InChI

InChI=1S/C31H36N4O/c36-30(34-13-11-33(12-14-34)21-23-7-3-1-4-8-23)28-22-35(27-9-5-2-6-10-27)32-29(28)31-18-24-15-25(19-31)17-26(16-24)20-31/h1-10,22,24-26H,11-21H2