4-[(3-chloranyl-4-phenoxy-phenyl)amino]-7-[5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]furan-2-yl]quinoline-3-carbonitrile

Systemtic Name: 4-[(3-chloranyl-4-phenoxy-phenyl)amino]-7-[5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]furan-2-yl]quinoline-3-carbonitrile Openeye Name: 4-(3-chloro-4-phenoxy-anilino)-7-[5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-2-furyl]quinoline-3-carbonitrile CAS Name: 4-(3-chloro-4-phenoxyanilino)-7-[5-[[4-(2-hydroxyethyl)-1-piperazinyl]methyl]-2-furanyl]-3-quinolinecarbonitrile IUPAC Name: 4-(3-chloro-4-phenoxyanilino)-7-[5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]furan-2-yl]quinoline-3-carbonitrile Traditional Name: 4-(3-chloro-4-phenoxy-anilino)-7-[5-[[4-(2-hydroxyethyl)piperazino]methyl]-2-furyl]quinoline-3-carbonitrile Formula: C33H30ClN5O3 MolecularWeight: 580.076

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCO)CC2=CC=C(O2)C3=CC4=NC=C(C(=C4C=C3)NC5=CC(=C(C=C5)OC6=CC=CC=C6)Cl)C#N

Isomeric SMILES

C1CN(CCN1CCO)CC2=CC=C(O2)C3=CC4=NC=C(C(=C4C=C3)NC5=CC(=C(C=C5)OC6=CC=CC=C6)Cl)C#N

InChI

InChI=1S/C33H30ClN5O3/c34-29-19-25(7-10-32(29)41-26-4-2-1-3-5-26)37-33-24(20-35)21-36-30-18-23(6-9-28(30)33)31-11-8-27(42-31)22-39-14-12-38(13-15-39)16-17-40/h1-11,18-19,21,40H,12-17,22H2,(H,36,37)