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

Systemtic Name: 1-(5-chloranyl-2-methyl-phenyl)-3-ethyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 1-(5-chloro-2-methyl-phenyl)-3-ethyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 1-(5-chloro-2-methylphenyl)-3-ethyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 1-(5-chloro-2-methylphenyl)-3-ethyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 1-(5-chloro-2-methyl-phenyl)-3-ethyl-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine Formula: C16H20ClN3 MolecularWeight: 289.8031

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2CCCCN=C2N(N1)C3=C(C=CC(=C3)Cl)C

Isomeric SMILES

CCC1=C2CCCCN=C2N(N1)C3=C(C=CC(=C3)Cl)C

InChI

InChI=1S/C16H20ClN3/c1-3-14-13-6-4-5-9-18-16(13)20(19-14)15-10-12(17)8-7-11(15)2/h7-8,10,19H,3-6,9H2,1-2H3