N-[(E)-4-(1,3-benzodioxol-5-yl)butan-2-ylideneamino]-7-chloranyl-quinolin-4-amine

Systemtic Name: N-[(E)-4-(1,3-benzodioxol-5-yl)butan-2-ylideneamino]-7-chloranyl-quinolin-4-amine Openeye Name: N-[(E)-[3-(1,3-benzodioxol-5-yl)-1-methyl-propylidene]amino]-7-chloro-quinolin-4-amine CAS Name: N-[(E)-4-(1,3-benzodioxol-5-yl)butan-2-ylideneamino]-7-chloro-4-quinolinamine IUPAC Name: N-[(E)-4-(1,3-benzodioxol-5-yl)butan-2-ylideneamino]-7-chloroquinolin-4-amine Traditional Name: [(E)-[3-(1,3-benzodioxol-5-yl)-1-methyl-propylidene]amino]-(7-chloro-4-quinolyl)amine Formula: C20H18ClN3O2 MolecularWeight: 367.82882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC1=C2C=CC(=CC2=NC=C1)Cl)CCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C/C(=N\NC1=C2C=CC(=CC2=NC=C1)Cl)/CCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H18ClN3O2/c1-13(2-3-14-4-7-19-20(10-14)26-12-25-19)23-24-17-8-9-22-18-11-15(21)5-6-16(17)18/h4-11H,2-3,12H2,1H3,(H,22,24)/b23-13+