11-[3-(4-fluorophenyl)-1-pyrrolidin-2-yl-propyl]-6H-benzo[c][1,5]benzoxazepine

Systemtic Name: 11-[3-(4-fluorophenyl)-1-pyrrolidin-2-yl-propyl]-6H-benzo[c][1,5]benzoxazepine Openeye Name: 11-[3-(4-fluorophenyl)-1-pyrrolidin-2-yl-propyl]-6H-benzo[c][1,5]benzoxazepine CAS Name: 11-[3-(4-fluorophenyl)-1-(2-pyrrolidinyl)propyl]-6H-benzo[c][1,5]benzoxazepine IUPAC Name: 11-[3-(4-fluorophenyl)-1-pyrrolidin-2-ylpropyl]-6H-benzo[c][1,5]benzoxazepine Traditional Name: 11-[3-(4-fluorophenyl)-1-pyrrolidin-2-yl-propyl]-6H-benzo[c][1,5]benzoxazepine Formula: C26H27FN2O MolecularWeight: 402.503783

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(NC1)C(CCC2=CC=C(C=C2)F)N3C4=CC=CC=C4COC5=CC=CC=C53

Isomeric SMILES

C1CC(NC1)C(CCC2=CC=C(C=C2)F)N3C4=CC=CC=C4COC5=CC=CC=C53

InChI

InChI=1S/C26H27FN2O/c27-21-14-11-19(12-15-21)13-16-24(22-7-5-17-28-22)29-23-8-2-1-6-20(23)18-30-26-10-4-3-9-25(26)29/h1-4,6,8-12,14-15,22,24,28H,5,7,13,16-18H2