3-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine

Systemtic Name: 3-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine Openeye Name: 3-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine CAS Name: 3-(2,5-dimethyl-1-phenyl-3-pyrrolyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine IUPAC Name: 3-(2,5-dimethyl-1-phenylpyrrol-3-yl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine Traditional Name: 3-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazol[4,3-a]azepine Formula: C19H22N4 MolecularWeight: 306.40478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC=C2)C)C3=NN=C4N3CCCCC4

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC=C2)C)C3=NN=C4N3CCCCC4

InChI

InChI=1S/C19H22N4/c1-14-13-17(15(2)23(14)16-9-5-3-6-10-16)19-21-20-18-11-7-4-8-12-22(18)19/h3,5-6,9-10,13H,4,7-8,11-12H2,1-2H3