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

Systemtic Name: 1-(3-chloranyl-2-methyl-phenyl)-3-propyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 1-(3-chloro-2-methyl-phenyl)-3-propyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 1-(3-chloro-2-methylphenyl)-3-propyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 1-(3-chloro-2-methylphenyl)-3-propyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 1-(3-chloro-2-methyl-phenyl)-3-propyl-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine Formula: C17H22ClN3 MolecularWeight: 303.82968

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C2CCCCN=C2N(N1)C3=C(C(=CC=C3)Cl)C

Isomeric SMILES

CCCC1=C2CCCCN=C2N(N1)C3=C(C(=CC=C3)Cl)C

InChI

InChI=1S/C17H22ClN3/c1-3-7-15-13-8-4-5-11-19-17(13)21(20-15)16-10-6-9-14(18)12(16)2/h6,9-10,20H,3-5,7-8,11H2,1-2H3