1-phenyl-4-(pyren-1-ylmethyl)piperazine

Systemtic Name: 1-phenyl-4-(pyren-1-ylmethyl)piperazine Openeye Name: 1-phenyl-4-(pyren-1-ylmethyl)piperazine CAS Name: 1-phenyl-4-(1-pyrenylmethyl)piperazine IUPAC Name: 1-phenyl-4-(pyren-1-ylmethyl)piperazine Traditional Name: 1-phenyl-4-(pyren-1-ylmethyl)piperazine Formula: C27H24N2 MolecularWeight: 376.49286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2)C6=CC=CC=C6

Isomeric SMILES

C1CN(CCN1CC2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2)C6=CC=CC=C6

InChI

InChI=1S/C27H24N2/c1-2-7-24(8-3-1)29-17-15-28(16-18-29)19-23-12-11-22-10-9-20-5-4-6-21-13-14-25(23)27(22)26(20)21/h1-14H,15-19H2