5-[3-(2,2-dimethylpropoxy)-2-pyrrolidin-1-yl-propyl]-6H-benzo[b][1,4]benzoxazepine

Systemtic Name: 5-[3-(2,2-dimethylpropoxy)-2-pyrrolidin-1-yl-propyl]-6H-benzo[b][1,4]benzoxazepine Openeye Name: 5-[3-(2,2-dimethylpropoxy)-2-pyrrolidin-1-yl-propyl]-6H-benzo[b][1,4]benzoxazepine CAS Name: 5-[3-(2,2-dimethylpropoxy)-2-(1-pyrrolidinyl)propyl]-6H-benzo[b][1,4]benzoxazepine IUPAC Name: 5-[3-(2,2-dimethylpropoxy)-2-pyrrolidin-1-ylpropyl]-6H-benzo[b][1,4]benzoxazepine Traditional Name: 5-(3-neopentyloxy-2-pyrrolidino-propyl)-6H-benzo[b][1,4]benzoxazepine Formula: C25H34N2O2 MolecularWeight: 394.54966

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)COCC(CN1CC2=CC=CC=C2OC3=CC=CC=C31)N4CCCC4

Isomeric SMILES

CC(C)(C)COCC(CN1CC2=CC=CC=C2OC3=CC=CC=C31)N4CCCC4

InChI

InChI=1S/C25H34N2O2/c1-25(2,3)19-28-18-21(26-14-8-9-15-26)17-27-16-20-10-4-6-12-23(20)29-24-13-7-5-11-22(24)27/h4-7,10-13,21H,8-9,14-19H2,1-3H3