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

Systemtic Name: 1-(3-chloranyl-4-methyl-phenyl)-3-ethyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 1-(3-chloro-4-methyl-phenyl)-3-ethyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 1-(3-chloro-4-methylphenyl)-3-ethyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 1-(3-chloro-4-methylphenyl)-3-ethyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 1-(3-chloro-4-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=CC(=C(C=C3)C)Cl

Isomeric SMILES

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

InChI

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