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

Systemtic Name: 1-(5-chloranyl-2-methoxy-phenyl)-3-ethyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 1-(5-chloro-2-methoxy-phenyl)-3-ethyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 1-(5-chloro-2-methoxyphenyl)-3-ethyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 1-(5-chloro-2-methoxyphenyl)-3-ethyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 1-(5-chloro-2-methoxy-phenyl)-3-ethyl-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine Formula: C16H20ClN3O MolecularWeight: 305.8025

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20ClN3O/c1-3-13-12-6-4-5-9-18-16(12)20(19-13)14-10-11(17)7-8-15(14)21-2/h7-8,10,19H,3-6,9H2,1-2H3