3-[(E)-2-(8-chloranyl-1-methyl-2,3-dihydro-1,4-benzodiazepin-5-yl)ethenyl]phenol

Systemtic Name: 3-[(E)-2-(8-chloranyl-1-methyl-2,3-dihydro-1,4-benzodiazepin-5-yl)ethenyl]phenol Openeye Name: 3-[(E)-2-(8-chloro-1-methyl-2,3-dihydro-1,4-benzodiazepin-5-yl)vinyl]phenol CAS Name: 3-[(E)-2-(8-chloro-1-methyl-2,3-dihydro-1,4-benzodiazepin-5-yl)ethenyl]phenol IUPAC Name: 3-[(E)-2-(8-chloro-1-methyl-2,3-dihydro-1,4-benzodiazepin-5-yl)ethenyl]phenol Traditional Name: 3-[(E)-2-(8-chloro-1-methyl-2,3-dihydro-1,4-benzodiazepin-5-yl)vinyl]phenol Formula: C18H17ClN2O MolecularWeight: 312.79338

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17ClN2O/c1-21-10-9-20-17(16-7-6-14(19)12-18(16)21)8-5-13-3-2-4-15(22)11-13/h2-8,11-12,22H,9-10H2,1H3/b8-5+