5-[4,4-bis(4-fluorophenyl)butyl]-N-phenyl-1,2,5-triazepane-1-carboxamide

Systemtic Name: 5-[4,4-bis(4-fluorophenyl)butyl]-N-phenyl-1,2,5-triazepane-1-carboxamide Openeye Name: 5-[4,4-bis(4-fluorophenyl)butyl]-N-phenyl-1,2,5-triazepane-1-carboxamide CAS Name: 5-[4,4-bis(4-fluorophenyl)butyl]-N-phenyl-1,2,5-triazepane-1-carboxamide IUPAC Name: 5-[4,4-bis(4-fluorophenyl)butyl]-N-phenyl-1,2,5-triazepane-1-carboxamide Traditional Name: 5-[4,4-bis(4-fluorophenyl)butyl]-N-phenyl-1,2,5-triazepane-1-carboxamide Formula: C27H30F2N4O MolecularWeight: 464.550106

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(N1)C(=O)NC2=CC=CC=C2)CCCC(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CCN(N1)C(=O)NC2=CC=CC=C2)CCCC(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F

InChI

InChI=1S/C27H30F2N4O/c28-23-12-8-21(9-13-23)26(22-10-14-24(29)15-11-22)7-4-17-32-18-16-30-33(20-19-32)27(34)31-25-5-2-1-3-6-25/h1-3,5-6,8-15,26,30H,4,7,16-20H2,(H,31,34)