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

Systemtic Name: 1-(4-chloranyl-2-methyl-phenyl)-3-(thiophen-2-ylmethyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 1-(4-chloro-2-methyl-phenyl)-3-(2-thienylmethyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 1-(4-chloro-2-methylphenyl)-3-(thiophen-2-ylmethyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 1-(4-chloro-2-methylphenyl)-3-(thiophen-2-ylmethyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 1-(4-chloro-2-methyl-phenyl)-3-(2-thenyl)-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=CC(=C1)Cl)N2C3=NCCCCC3=C(N2)CC4=CC=CS4

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)N2C3=NCCCCC3=C(N2)CC4=CC=CS4

InChI

InChI=1S/C19H20ClN3S/c1-13-11-14(20)7-8-18(13)23-19-16(6-2-3-9-21-19)17(22-23)12-15-5-4-10-24-15/h4-5,7-8,10-11,22H,2-3,6,9,12H2,1H3