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

Systemtic Name: 1-(2-propan-2-ylphenyl)-3-thiophen-3-yl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 1-(2-isopropylphenyl)-3-(3-thienyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 1-(2-propan-2-ylphenyl)-3-(3-thiophenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 1-(2-propan-2-ylphenyl)-3-thiophen-3-yl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 1-o-cumenyl-3-(3-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=CSC=C4

Isomeric SMILES

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

InChI

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