3-(5-chloranylthiophen-2-yl)-1-methyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine

Systemtic Name: 3-(5-chloranylthiophen-2-yl)-1-methyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 3-(5-chloro-2-thienyl)-1-methyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 3-(5-chloro-2-thiophenyl)-1-methyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 3-(5-chlorothiophen-2-yl)-1-methyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 3-(5-chloro-2-thienyl)-1-methyl-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine Formula: C12H14ClN3S MolecularWeight: 267.77766

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=NCCCCC2=C(N1)C3=CC=C(S3)Cl

Isomeric SMILES

CN1C2=NCCCCC2=C(N1)C3=CC=C(S3)Cl

InChI

InChI=1S/C12H14ClN3S/c1-16-12-8(4-2-3-7-14-12)11(15-16)9-5-6-10(13)17-9/h5-6,15H,2-4,7H2,1H3