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

Systemtic Name: 1-(3-chloranyl-4-methyl-phenyl)-3-cyclobutyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 1-(3-chloro-4-methyl-phenyl)-3-cyclobutyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 1-(3-chloro-4-methylphenyl)-3-cyclobutyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 1-(3-chloro-4-methylphenyl)-3-cyclobutyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 1-(3-chloro-4-methyl-phenyl)-3-cyclobutyl-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine Formula: C18H22ClN3 MolecularWeight: 315.84038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C3=NCCCCC3=C(N2)C4CCC4)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2C3=NCCCCC3=C(N2)C4CCC4)Cl

InChI

InChI=1S/C18H22ClN3/c1-12-8-9-14(11-16(12)19)22-18-15(7-2-3-10-20-18)17(21-22)13-5-4-6-13/h8-9,11,13,21H,2-7,10H2,1H3