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

Systemtic Name: 1-(2-propan-2-ylphenyl)-3-thiophen-2-yl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 1-(2-isopropylphenyl)-3-(2-thienyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 1-(2-propan-2-ylphenyl)-3-thiophen-2-yl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 1-(2-propan-2-ylphenyl)-3-thiophen-2-yl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 1-o-cumenyl-3-(2-thienyl)-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine Formula: C20H23N3S MolecularWeight: 337.48172

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1N2C3=NCCCCC3=C(N2)C4=CC=CS4

Isomeric SMILES

CC(C)C1=CC=CC=C1N2C3=NCCCCC3=C(N2)C4=CC=CS4

InChI

InChI=1S/C20H23N3S/c1-14(2)15-8-3-4-10-17(15)23-20-16(9-5-6-12-21-20)19(22-23)18-11-7-13-24-18/h3-4,7-8,10-11,13-14,22H,5-6,9,12H2,1-2H3