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

Systemtic Name: 4-[8-ethoxy-4-(4-fluorophenyl)-1H-1,3,5-benzotriazepin-2-yl]-N,N-dimethyl-aniline Openeye Name: 4-[8-ethoxy-4-(4-fluorophenyl)-1H-1,3,5-benzotriazepin-2-yl]-N,N-dimethyl-aniline CAS Name: 4-[8-ethoxy-4-(4-fluorophenyl)-1H-1,3,5-benzotriazepin-2-yl]-N,N-dimethylaniline IUPAC Name: 4-[8-ethoxy-4-(4-fluorophenyl)-1H-1,3,5-benzotriazepin-2-yl]-N,N-dimethylaniline Traditional Name: [4-[8-ethoxy-4-(4-fluorophenyl)-1H-1,3,5-benzotriazepin-2-yl]phenyl]-dimethyl-amine Formula: C24H23FN4O MolecularWeight: 402.464023

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=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

CCOC1=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/C24H23FN4O/c1-4-30-20-13-14-21-22(15-20)27-24(17-7-11-19(12-8-17)29(2)3)28-23(26-21)16-5-9-18(25)10-6-16/h5-15H,4H2,1-3H3,(H,26,27,28)