8-chloranyl-1-methyl-5-[(E)-2-(3-prop-2-enoxyphenyl)ethenyl]-2,3-dihydro-1,4-benzodiazepine

Systemtic Name: 8-chloranyl-1-methyl-5-[(E)-2-(3-prop-2-enoxyphenyl)ethenyl]-2,3-dihydro-1,4-benzodiazepine Openeye Name: 5-[(E)-2-(3-allyloxyphenyl)vinyl]-8-chloro-1-methyl-2,3-dihydro-1,4-benzodiazepine CAS Name: 8-chloro-1-methyl-5-[(E)-2-(3-prop-2-enoxyphenyl)ethenyl]-2,3-dihydro-1,4-benzodiazepine IUPAC Name: 8-chloro-1-methyl-5-[(E)-2-(3-prop-2-enoxyphenyl)ethenyl]-2,3-dihydro-1,4-benzodiazepine Traditional Name: 5-[(E)-2-(3-allyloxyphenyl)vinyl]-8-chloro-1-methyl-2,3-dihydro-1,4-benzodiazepine Formula: C21H21ClN2O MolecularWeight: 352.85724

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN=C(C2=C1C=C(C=C2)Cl)C=CC3=CC(=CC=C3)OCC=C

Isomeric SMILES

CN1CCN=C(C2=C1C=C(C=C2)Cl)/C=C/C3=CC(=CC=C3)OCC=C

InChI

InChI=1S/C21H21ClN2O/c1-3-13-25-18-6-4-5-16(14-18)7-10-20-19-9-8-17(22)15-21(19)24(2)12-11-23-20/h3-10,14-15H,1,11-13H2,2H3/b10-7+