5-[(E)-2-(2-hexoxyphenyl)ethenyl]-1-methyl-2,3-dihydro-1,4-benzodiazepine

Systemtic Name: 5-[(E)-2-(2-hexoxyphenyl)ethenyl]-1-methyl-2,3-dihydro-1,4-benzodiazepine Openeye Name: 5-[(E)-2-(2-hexoxyphenyl)vinyl]-1-methyl-2,3-dihydro-1,4-benzodiazepine CAS Name: 5-[(E)-2-(2-hexoxyphenyl)ethenyl]-1-methyl-2,3-dihydro-1,4-benzodiazepine IUPAC Name: 5-[(E)-2-(2-hexoxyphenyl)ethenyl]-1-methyl-2,3-dihydro-1,4-benzodiazepine Traditional Name: 5-[(E)-2-(2-hexoxyphenyl)vinyl]-1-methyl-2,3-dihydro-1,4-benzodiazepine Formula: C24H30N2O MolecularWeight: 362.5078

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=CC=C1C=CC2=NCCN(C3=CC=CC=C32)C

Isomeric SMILES

CCCCCCOC1=CC=CC=C1/C=C/C2=NCCN(C3=CC=CC=C32)C

InChI

InChI=1S/C24H30N2O/c1-3-4-5-10-19-27-24-14-9-6-11-20(24)15-16-22-21-12-7-8-13-23(21)26(2)18-17-25-22/h6-9,11-16H,3-5,10,17-19H2,1-2H3/b16-15+