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

Systemtic Name: 1-(3,4-dimethylphenyl)-3-thiophen-2-yl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 1-(3,4-dimethylphenyl)-3-(2-thienyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 1-(3,4-dimethylphenyl)-3-thiophen-2-yl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 1-(3,4-dimethylphenyl)-3-thiophen-2-yl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 1-(3,4-dimethylphenyl)-3-(2-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=C(C=C(C=C1)N2C3=NCCCCC3=C(N2)C4=CC=CS4)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C3=NCCCCC3=C(N2)C4=CC=CS4)C

InChI

InChI=1S/C19H21N3S/c1-13-8-9-15(12-14(13)2)22-19-16(6-3-4-10-20-19)18(21-22)17-7-5-11-23-17/h5,7-9,11-12,21H,3-4,6,10H2,1-2H3