N-[4,4-bis(4-fluorophenyl)butyl]-1,3-diazacyclotridec-2-en-2-amine

Systemtic Name: N-[4,4-bis(4-fluorophenyl)butyl]-1,3-diazacyclotridec-2-en-2-amine Openeye Name: N-[4,4-bis(4-fluorophenyl)butyl]-1,3-diazacyclotridec-2-en-2-amine CAS Name: N-[4,4-bis(4-fluorophenyl)butyl]-1,3-diazacyclotridec-2-en-2-amine IUPAC Name: N-[4,4-bis(4-fluorophenyl)butyl]-1,3-diazacyclotridec-2-en-2-amine Traditional Name: 4,4-bis(4-fluorophenyl)butyl-(1,3-diazacyclotridec-2-en-2-yl)amine Formula: C27H37F2N3 MolecularWeight: 441.599586

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCCCN=C(NCCCC1)NCCCC(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F

Isomeric SMILES

C1CCCCCN=C(NCCCC1)NCCCC(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F

InChI

InChI=1S/C27H37F2N3/c28-24-15-11-22(12-16-24)26(23-13-17-25(29)18-14-23)10-9-21-32-27-30-19-7-5-3-1-2-4-6-8-20-31-27/h11-18,26H,1-10,19-21H2,(H2,30,31,32)