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

Systemtic Name: N-[4,4-bis(4-fluorophenyl)butyl]-1,3-diazacyclotridec-2-en-2-amine hydrochloride Openeye Name: N-[4,4-bis(4-fluorophenyl)butyl]-1,3-diazacyclotridec-2-en-2-amine hydrochloride CAS Name: N-[4,4-bis(4-fluorophenyl)butyl]-1,3-diazacyclotridec-2-en-2-amine hydrochloride IUPAC Name: N-[4,4-bis(4-fluorophenyl)butyl]-1,3-diazacyclotridec-2-en-2-amine hydrochloride Traditional Name: 4,4-bis(4-fluorophenyl)butyl-(1,3-diazacyclotridec-2-en-2-yl)amine hydrochloride Formula: C27H38ClF2N3 MolecularWeight: 478.060526

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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.Cl

Isomeric SMILES

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

InChI

InChI=1S/C27H37F2N3.ClH/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);1H