7-chloranyl-N-ethyl-5-phenyl-4H-1,3,4-benzotriazepin-2-amine

Systemtic Name: 7-chloranyl-N-ethyl-5-phenyl-4H-1,3,4-benzotriazepin-2-amine Openeye Name: 7-chloro-N-ethyl-5-phenyl-4H-1,3,4-benzotriazepin-2-amine CAS Name: 7-chloro-N-ethyl-5-phenyl-4H-1,3,4-benzotriazepin-2-amine IUPAC Name: 7-chloro-N-ethyl-5-phenyl-4H-1,3,4-benzotriazepin-2-amine Traditional Name: (7-chloro-5-phenyl-4H-1,3,4-benzotriazepin-2-yl)-ethyl-amine Formula: C16H15ClN4 MolecularWeight: 298.7701

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NNC(=C2C=C(C=CC2=N1)Cl)C3=CC=CC=C3

Isomeric SMILES

CCNC1=NNC(=C2C=C(C=CC2=N1)Cl)C3=CC=CC=C3

InChI

InChI=1S/C16H15ClN4/c1-2-18-16-19-14-9-8-12(17)10-13(14)15(20-21-16)11-6-4-3-5-7-11/h3-10,20H,2H2,1H3,(H,18,21)