4-(3-azanyl-4-chloranyl-phenoxy)-7-(2-oxidanyl-3-pyrrolidin-1-yl-propoxy)quinoline-6-carbonitrile

Systemtic Name: 4-(3-azanyl-4-chloranyl-phenoxy)-7-(2-oxidanyl-3-pyrrolidin-1-yl-propoxy)quinoline-6-carbonitrile Openeye Name: 4-(3-amino-4-chloro-phenoxy)-7-(2-hydroxy-3-pyrrolidin-1-yl-propoxy)quinoline-6-carbonitrile CAS Name: 4-(3-amino-4-chlorophenoxy)-7-[2-hydroxy-3-(1-pyrrolidinyl)propoxy]-6-quinolinecarbonitrile IUPAC Name: 4-(3-amino-4-chlorophenoxy)-7-(2-hydroxy-3-pyrrolidin-1-ylpropoxy)quinoline-6-carbonitrile Traditional Name: 4-(3-amino-4-chloro-phenoxy)-7-(2-hydroxy-3-pyrrolidino-propoxy)quinoline-6-carbonitrile Formula: C23H23ClN4O3 MolecularWeight: 438.90672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC(COC2=CC3=NC=CC(=C3C=C2C#N)OC4=CC(=C(C=C4)Cl)N)O

Isomeric SMILES

C1CCN(C1)CC(COC2=CC3=NC=CC(=C3C=C2C#N)OC4=CC(=C(C=C4)Cl)N)O

InChI

InChI=1S/C23H23ClN4O3/c24-19-4-3-17(10-20(19)26)31-22-5-6-27-21-11-23(15(12-25)9-18(21)22)30-14-16(29)13-28-7-1-2-8-28/h3-6,9-11,16,29H,1-2,7-8,13-14,26H2