3-phenyl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]-2,4,5,6,7,7a-hexahydroindazole

Systemtic Name: 3-phenyl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]-2,4,5,6,7,7a-hexahydroindazole Openeye Name: 3-phenyl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]-2,4,5,6,7,7a-hexahydroindazole CAS Name: 3-phenyl-1-[4-[3-(1-pyrrolidinyl)propoxy]phenyl]-2,4,5,6,7,7a-hexahydroindazole IUPAC Name: 3-phenyl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]-2,4,5,6,7,7a-hexahydroindazole Traditional Name: 3-phenyl-1-[4-(3-pyrrolidinopropoxy)phenyl]-2,4,5,6,7,7a-hexahydroindazole Formula: C26H33N3O MolecularWeight: 403.55972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(NN(C2C1)C3=CC=C(C=C3)OCCCN4CCCC4)C5=CC=CC=C5

Isomeric SMILES

C1CCC2=C(NN(C2C1)C3=CC=C(C=C3)OCCCN4CCCC4)C5=CC=CC=C5

InChI

InChI=1S/C26H33N3O/c1-2-9-21(10-3-1)26-24-11-4-5-12-25(24)29(27-26)22-13-15-23(16-14-22)30-20-8-19-28-17-6-7-18-28/h1-3,9-10,13-16,25,27H,4-8,11-12,17-20H2