1-(phenylmethyl)-3-thiophen-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-d]azepine

Systemtic Name: 1-(phenylmethyl)-3-thiophen-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-d]azepine Openeye Name: 1-benzyl-3-(2-thienyl)-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-d]azepine CAS Name: 1-(phenylmethyl)-3-thiophen-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-d]azepine IUPAC Name: 1-benzyl-3-thiophen-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-d]azepine Traditional Name: 1-benzyl-3-(2-thienyl)-5,6,7,8-tetrahydro-4H-pyrazol[3,4-d]azepine Formula: C18H19N3S MolecularWeight: 309.42856

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC2=C1C(=NN2CC3=CC=CC=C3)C4=CC=CS4

Isomeric SMILES

C1CNCCC2=C1C(=NN2CC3=CC=CC=C3)C4=CC=CS4

InChI

InChI=1S/C18H19N3S/c1-2-5-14(6-3-1)13-21-16-9-11-19-10-8-15(16)18(20-21)17-7-4-12-22-17/h1-7,12,19H,8-11,13H2