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

Systemtic Name: 3-tert-butyl-1-(3-chloranyl-2-methyl-phenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 3-tert-butyl-1-(3-chloro-2-methyl-phenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 3-tert-butyl-1-(3-chloro-2-methylphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 3-tert-butyl-1-(3-chloro-2-methylphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 3-tert-butyl-1-(3-chloro-2-methyl-phenyl)-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine Formula: C18H24ClN3 MolecularWeight: 317.85626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)N2C3=NCCCCC3=C(N2)C(C)(C)C

Isomeric SMILES

CC1=C(C=CC=C1Cl)N2C3=NCCCCC3=C(N2)C(C)(C)C

InChI

InChI=1S/C18H24ClN3/c1-12-14(19)9-7-10-15(12)22-17-13(8-5-6-11-20-17)16(21-22)18(2,3)4/h7,9-10,21H,5-6,8,11H2,1-4H3