4-(7-fluoranyl-2-pyridin-4-yl-4H-1,3,4-benzotriazepin-5-yl)-N,N-dimethyl-aniline

Systemtic Name: 4-(7-fluoranyl-2-pyridin-4-yl-4H-1,3,4-benzotriazepin-5-yl)-N,N-dimethyl-aniline Openeye Name: 4-[7-fluoro-2-(4-pyridyl)-4H-1,3,4-benzotriazepin-5-yl]-N,N-dimethyl-aniline CAS Name: 4-(7-fluoro-2-pyridin-4-yl-4H-1,3,4-benzotriazepin-5-yl)-N,N-dimethylaniline IUPAC Name: 4-(7-fluoro-2-pyridin-4-yl-4H-1,3,4-benzotriazepin-5-yl)-N,N-dimethylaniline Traditional Name: [4-[7-fluoro-2-(4-pyridyl)-4H-1,3,4-benzotriazepin-5-yl]phenyl]-dimethyl-amine Formula: C21H18FN5 MolecularWeight: 359.399523

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C2=C3C=C(C=CC3=NC(=NN2)C4=CC=NC=C4)F

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C2=C3C=C(C=CC3=NC(=NN2)C4=CC=NC=C4)F

InChI

InChI=1S/C21H18FN5/c1-27(2)17-6-3-14(4-7-17)20-18-13-16(22)5-8-19(18)24-21(26-25-20)15-9-11-23-12-10-15/h3-13,25H,1-2H3