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

Systemtic Name: 3-[2-(4-phenylpiperazin-1-yl)ethyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine Openeye Name: 3-[2-(4-phenylpiperazin-1-yl)ethyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine CAS Name: 3-[2-(4-phenyl-1-piperazinyl)ethyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine IUPAC Name: 3-[2-(4-phenylpiperazin-1-yl)ethyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine Traditional Name: 3-[2-(4-phenylpiperazino)ethyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazol[4,3-a]azepine Formula: C19H27N5 MolecularWeight: 325.45118

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=NN=C(N2CC1)CCN3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

C1CCC2=NN=C(N2CC1)CCN3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C19H27N5/c1-3-7-17(8-4-1)23-15-13-22(14-16-23)12-10-19-21-20-18-9-5-2-6-11-24(18)19/h1,3-4,7-8H,2,5-6,9-16H2