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

Systemtic Name: 1-(2,5-dimethylphenyl)-3-thiophen-3-yl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 1-(2,5-dimethylphenyl)-3-(3-thienyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 1-(2,5-dimethylphenyl)-3-(3-thiophenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 1-(2,5-dimethylphenyl)-3-thiophen-3-yl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 1-(2,5-dimethylphenyl)-3-(3-thienyl)-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine Formula: C19H21N3S MolecularWeight: 323.45514

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2C3=NCCCCC3=C(N2)C4=CSC=C4

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C3=NCCCCC3=C(N2)C4=CSC=C4

InChI

InChI=1S/C19H21N3S/c1-13-6-7-14(2)17(11-13)22-19-16(5-3-4-9-20-19)18(21-22)15-8-10-23-12-15/h6-8,10-12,21H,3-5,9H2,1-2H3