4-(4-fluorophenyl)-5-[3-(2-methylpropoxy)-2-pyrrolidin-1-yl-propyl]-3,4-dihydro-2H-1,5-benzoxazepine

Systemtic Name: 4-(4-fluorophenyl)-5-[3-(2-methylpropoxy)-2-pyrrolidin-1-yl-propyl]-3,4-dihydro-2H-1,5-benzoxazepine Openeye Name: 4-(4-fluorophenyl)-5-(3-isobutoxy-2-pyrrolidin-1-yl-propyl)-3,4-dihydro-2H-1,5-benzoxazepine CAS Name: 4-(4-fluorophenyl)-5-[3-(2-methylpropoxy)-2-(1-pyrrolidinyl)propyl]-3,4-dihydro-2H-1,5-benzoxazepine IUPAC Name: 4-(4-fluorophenyl)-5-[3-(2-methylpropoxy)-2-pyrrolidin-1-ylpropyl]-3,4-dihydro-2H-1,5-benzoxazepine Traditional Name: 4-(4-fluorophenyl)-5-(3-isobutoxy-2-pyrrolidino-propyl)-3,4-dihydro-2H-1,5-benzoxazepine Formula: C26H35FN2O2 MolecularWeight: 426.566703

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)COCC(CN1C(CCOC2=CC=CC=C21)C3=CC=C(C=C3)F)N4CCCC4

Isomeric SMILES

CC(C)COCC(CN1C(CCOC2=CC=CC=C21)C3=CC=C(C=C3)F)N4CCCC4

InChI

InChI=1S/C26H35FN2O2/c1-20(2)18-30-19-23(28-14-5-6-15-28)17-29-24(21-9-11-22(27)12-10-21)13-16-31-26-8-4-3-7-25(26)29/h3-4,7-12,20,23-24H,5-6,13-19H2,1-2H3