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

Systemtic Name: 1-(4-methylphenyl)-3-thiophen-2-yl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 1-(p-tolyl)-3-(2-thienyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 1-(4-methylphenyl)-3-thiophen-2-yl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 1-(4-methylphenyl)-3-thiophen-2-yl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 1-(p-tolyl)-3-(2-thienyl)-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine Formula: C18H19N3S MolecularWeight: 309.42856

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3S/c1-13-7-9-14(10-8-13)21-18-15(5-2-3-11-19-18)17(20-21)16-6-4-12-22-16/h4,6-10,12,20H,2-3,5,11H2,1H3