11-[3-(2,2-dimethylpropoxy)-2-pyrrolidin-1-yl-propyl]benzo[b][1]benzazepine

Systemtic Name: 11-[3-(2,2-dimethylpropoxy)-2-pyrrolidin-1-yl-propyl]benzo[b][1]benzazepine Openeye Name: 11-[3-(2,2-dimethylpropoxy)-2-pyrrolidin-1-yl-propyl]benzo[b][1]benzazepine CAS Name: 11-[3-(2,2-dimethylpropoxy)-2-(1-pyrrolidinyl)propyl]benzo[b][1]benzazepine IUPAC Name: 11-[3-(2,2-dimethylpropoxy)-2-pyrrolidin-1-ylpropyl]benzo[b][1]benzazepine Traditional Name: 11-(3-neopentyloxy-2-pyrrolidino-propyl)benzo[b][1]benzazepine Formula: C26H34N2O MolecularWeight: 390.56096

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)COCC(CN1C2=CC=CC=C2C=CC3=CC=CC=C31)N4CCCC4

Isomeric SMILES

CC(C)(C)COCC(CN1C2=CC=CC=C2C=CC3=CC=CC=C31)N4CCCC4

InChI

InChI=1S/C26H34N2O/c1-26(2,3)20-29-19-23(27-16-8-9-17-27)18-28-24-12-6-4-10-21(24)14-15-22-11-5-7-13-25(22)28/h4-7,10-15,23H,8-9,16-20H2,1-3H3