5-[(E)-2-(5-bromanyl-2-propan-2-yloxy-phenyl)ethenyl]-1-methyl-2,3-dihydro-1,4-benzodiazepine

Systemtic Name: 5-[(E)-2-(5-bromanyl-2-propan-2-yloxy-phenyl)ethenyl]-1-methyl-2,3-dihydro-1,4-benzodiazepine Openeye Name: 5-[(E)-2-(5-bromo-2-isopropoxy-phenyl)vinyl]-1-methyl-2,3-dihydro-1,4-benzodiazepine CAS Name: 5-[(E)-2-(5-bromo-2-propan-2-yloxyphenyl)ethenyl]-1-methyl-2,3-dihydro-1,4-benzodiazepine IUPAC Name: 5-[(E)-2-(5-bromo-2-propan-2-yloxyphenyl)ethenyl]-1-methyl-2,3-dihydro-1,4-benzodiazepine Traditional Name: 5-[(E)-2-(5-bromo-2-isopropoxy-phenyl)vinyl]-1-methyl-2,3-dihydro-1,4-benzodiazepine Formula: C21H23BrN2O MolecularWeight: 399.32412

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)Br)C=CC2=NCCN(C3=CC=CC=C32)C

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)Br)/C=C/C2=NCCN(C3=CC=CC=C32)C

InChI

InChI=1S/C21H23BrN2O/c1-15(2)25-21-11-9-17(22)14-16(21)8-10-19-18-6-4-5-7-20(18)24(3)13-12-23-19/h4-11,14-15H,12-13H2,1-3H3/b10-8+