1-(9-bromanyl-6,7-dihydro-[1]benzoxepino[5,4-b]indol-12-yl)-N,N-dimethyl-butan-2-amine

Systemtic Name: 1-(9-bromanyl-6,7-dihydro-[1]benzoxepino[5,4-b]indol-12-yl)-N,N-dimethyl-butan-2-amine Openeye Name: 1-(9-bromo-6,7-dihydro-[1]benzoxepino[5,4-b]indol-12-yl)-N,N-dimethyl-butan-2-amine CAS Name: 1-(9-bromo-6,7-dihydro-[1]benzoxepino[5,4-b]indol-12-yl)-N,N-dimethyl-2-butanamine IUPAC Name: 1-(9-bromo-6,7-dihydro-[1]benzoxepino[5,4-b]indol-12-yl)-N,N-dimethylbutan-2-amine Traditional Name: 1-[(9-bromo-6,7-dihydro-[1]benzoxepin[5,4-b]indol-12-yl)methyl]propyl-dimethyl-amine Formula: C22H25BrN2O MolecularWeight: 413.3507

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CN1C2=C(C=C(C=C2)Br)C3=C1C4=CC=CC=C4OCC3)N(C)C

Isomeric SMILES

CCC(CN1C2=C(C=C(C=C2)Br)C3=C1C4=CC=CC=C4OCC3)N(C)C

InChI

InChI=1S/C22H25BrN2O/c1-4-16(24(2)3)14-25-20-10-9-15(23)13-19(20)17-11-12-26-21-8-6-5-7-18(21)22(17)25/h5-10,13,16H,4,11-12,14H2,1-3H3