4-[8-ethyl-4-(4-fluorophenyl)-1H-1,3,5-benzotriazepin-2-yl]-N,N-dimethyl-aniline

Systemtic Name: 4-[8-ethyl-4-(4-fluorophenyl)-1H-1,3,5-benzotriazepin-2-yl]-N,N-dimethyl-aniline Openeye Name: 4-[8-ethyl-4-(4-fluorophenyl)-1H-1,3,5-benzotriazepin-2-yl]-N,N-dimethyl-aniline CAS Name: 4-[8-ethyl-4-(4-fluorophenyl)-1H-1,3,5-benzotriazepin-2-yl]-N,N-dimethylaniline IUPAC Name: 4-[8-ethyl-4-(4-fluorophenyl)-1H-1,3,5-benzotriazepin-2-yl]-N,N-dimethylaniline Traditional Name: [4-[8-ethyl-4-(4-fluorophenyl)-1H-1,3,5-benzotriazepin-2-yl]phenyl]-dimethyl-amine Formula: C24H23FN4 MolecularWeight: 386.464623

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(N=C(N2)C3=CC=C(C=C3)N(C)C)C4=CC=C(C=C4)F

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(N=C(N2)C3=CC=C(C=C3)N(C)C)C4=CC=C(C=C4)F

InChI

InChI=1S/C24H23FN4/c1-4-16-5-14-21-22(15-16)27-24(18-8-12-20(13-9-18)29(2)3)28-23(26-21)17-6-10-19(25)11-7-17/h5-15H,4H2,1-3H3,(H,26,27,28)