1-(5-chloranyl-2-methyl-phenyl)-3-(5-methylthiophen-2-yl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine

Systemtic Name: 1-(5-chloranyl-2-methyl-phenyl)-3-(5-methylthiophen-2-yl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 1-(5-chloro-2-methyl-phenyl)-3-(5-methyl-2-thienyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 1-(5-chloro-2-methylphenyl)-3-(5-methyl-2-thiophenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 1-(5-chloro-2-methylphenyl)-3-(5-methylthiophen-2-yl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 1-(5-chloro-2-methyl-phenyl)-3-(5-methyl-2-thienyl)-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine Formula: C19H20ClN3S MolecularWeight: 357.9002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2C3=NCCCCC3=C(N2)C4=CC=C(S4)C

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2C3=NCCCCC3=C(N2)C4=CC=C(S4)C

InChI

InChI=1S/C19H20ClN3S/c1-12-6-8-14(20)11-16(12)23-19-15(5-3-4-10-21-19)18(22-23)17-9-7-13(2)24-17/h6-9,11,22H,3-5,10H2,1-2H3