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

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

Isomeric SMILES

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

InChI

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