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

Systemtic Name: 1-(3-chlorophenyl)-3-thiophen-2-yl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 1-(3-chlorophenyl)-3-(2-thienyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 1-(3-chlorophenyl)-3-thiophen-2-yl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 1-(3-chlorophenyl)-3-thiophen-2-yl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 1-(3-chlorophenyl)-3-(2-thienyl)-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine Formula: C17H16ClN3S MolecularWeight: 329.84704

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN=C2C(=C(NN2C3=CC(=CC=C3)Cl)C4=CC=CS4)C1

Isomeric SMILES

C1CCN=C2C(=C(NN2C3=CC(=CC=C3)Cl)C4=CC=CS4)C1

InChI

InChI=1S/C17H16ClN3S/c18-12-5-3-6-13(11-12)21-17-14(7-1-2-9-19-17)16(20-21)15-8-4-10-22-15/h3-6,8,10-11,20H,1-2,7,9H2