2-butyl-4-phenyl-3,5-dihydro-1,3,4-benzotriazepine hydrochloride

Systemtic Name: 2-butyl-4-phenyl-3,5-dihydro-1,3,4-benzotriazepine hydrochloride Openeye Name: 2-butyl-4-phenyl-3,5-dihydro-1,3,4-benzotriazepine hydrochloride CAS Name: 2-butyl-4-phenyl-3,5-dihydro-1,3,4-benzotriazepine hydrochloride IUPAC Name: 2-butyl-4-phenyl-3,5-dihydro-1,3,4-benzotriazepine hydrochloride Traditional Name: 2-butyl-4-phenyl-3,5-dihydro-1,3,4-benzotriazepine hydrochloride Formula: C18H22ClN3 MolecularWeight: 315.84038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=CC=CC=C2CN(N1)C3=CC=CC=C3.Cl

Isomeric SMILES

CCCCC1=NC2=CC=CC=C2CN(N1)C3=CC=CC=C3.Cl

InChI

InChI=1S/C18H21N3.ClH/c1-2-3-13-18-19-17-12-8-7-9-15(17)14-21(20-18)16-10-5-4-6-11-16;/h4-12H,2-3,13-14H2,1H3,(H,19,20);1H