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

Systemtic Name: 1-(5-chloranyl-2-methoxy-phenyl)-3-pentan-3-yl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 1-(5-chloro-2-methoxy-phenyl)-3-(1-ethylpropyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 1-(5-chloro-2-methoxyphenyl)-3-pentan-3-yl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 1-(5-chloro-2-methoxyphenyl)-3-pentan-3-yl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 1-(5-chloro-2-methoxy-phenyl)-3-(1-ethylpropyl)-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine Formula: C19H26ClN3O MolecularWeight: 347.88224

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C1=C2CCCCN=C2N(N1)C3=C(C=CC(=C3)Cl)OC

Isomeric SMILES

CCC(CC)C1=C2CCCCN=C2N(N1)C3=C(C=CC(=C3)Cl)OC

InChI

InChI=1S/C19H26ClN3O/c1-4-13(5-2)18-15-8-6-7-11-21-19(15)23(22-18)16-12-14(20)9-10-17(16)24-3/h9-10,12-13,22H,4-8,11H2,1-3H3