(2E)-2-[1-(3-iodanylpropyl)quinolin-4-ylidene]-3,4-dimethyl-1,3-benzoxazole

Systemtic Name: (2E)-2-[1-(3-iodanylpropyl)quinolin-4-ylidene]-3,4-dimethyl-1,3-benzoxazole Openeye Name: (2E)-2-[1-(3-iodopropyl)-4-quinolylidene]-3,4-dimethyl-1,3-benzoxazole CAS Name: (2E)-2-[1-(3-iodopropyl)-4-quinolinylidene]-3,4-dimethyl-1,3-benzoxazole IUPAC Name: (2E)-2-[1-(3-iodopropyl)quinolin-4-ylidene]-3,4-dimethyl-1,3-benzoxazole Traditional Name: (2E)-2-[1-(3-iodopropyl)-4-quinolylidene]-3,4-dimethyl-1,3-benzoxazole Formula: C21H21IN2O MolecularWeight: 444.30871

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)OC(=C3C=CN(C4=CC=CC=C34)CCCI)N2C

Isomeric SMILES

CC1=C2C(=CC=C1)O/C(=C/3\C=CN(C4=CC=CC=C34)CCCI)/N2C

InChI

InChI=1S/C21H21IN2O/c1-15-7-5-10-19-20(15)23(2)21(25-19)17-11-14-24(13-6-12-22)18-9-4-3-8-16(17)18/h3-5,7-11,14H,6,12-13H2,1-2H3/b21-17+