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

Systemtic Name: N-[3,3-bis(4-fluorophenyl)propyl]-1,3-diazacyclotridec-2-en-2-amine hydrochloride Openeye Name: N-[3,3-bis(4-fluorophenyl)propyl]-1,3-diazacyclotridec-2-en-2-amine hydrochloride CAS Name: N-[3,3-bis(4-fluorophenyl)propyl]-1,3-diazacyclotridec-2-en-2-amine hydrochloride IUPAC Name: N-[3,3-bis(4-fluorophenyl)propyl]-1,3-diazacyclotridec-2-en-2-amine hydrochloride Traditional Name: 3,3-bis(4-fluorophenyl)propyl-(1,3-diazacyclotridec-2-en-2-yl)amine hydrochloride Formula: C26H36ClF2N3 MolecularWeight: 464.033946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H35F2N3.ClH/c27-23-13-9-21(10-14-23)25(22-11-15-24(28)16-12-22)17-20-31-26-29-18-7-5-3-1-2-4-6-8-19-30-26;/h9-16,25H,1-8,17-20H2,(H2,29,30,31);1H