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

Systemtic Name: N-phenyl-4-(pyren-1-ylmethyl)piperazine-1-carboxamide Openeye Name: N-phenyl-4-(pyren-1-ylmethyl)piperazine-1-carboxamide CAS Name: N-phenyl-4-(1-pyrenylmethyl)-1-piperazinecarboxamide IUPAC Name: N-phenyl-4-(pyren-1-ylmethyl)piperazine-1-carboxamide Traditional Name: N-phenyl-4-(pyren-1-ylmethyl)piperazine-1-carboxamide Formula: C28H25N3O MolecularWeight: 419.5176

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2)C(=O)NC6=CC=CC=C6

Isomeric SMILES

C1CN(CCN1CC2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2)C(=O)NC6=CC=CC=C6

InChI

InChI=1S/C28H25N3O/c32-28(29-24-7-2-1-3-8-24)31-17-15-30(16-18-31)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,(H,29,32)