4-(1-benzofuran-7-ylamino)-7-(3-chloranylpropoxy)-6-methoxy-quinoline-3-carbonitrile

Systemtic Name: 4-(1-benzofuran-7-ylamino)-7-(3-chloranylpropoxy)-6-methoxy-quinoline-3-carbonitrile Openeye Name: 4-(benzofuran-7-ylamino)-7-(3-chloropropoxy)-6-methoxy-quinoline-3-carbonitrile CAS Name: 4-(7-benzofuranylamino)-7-(3-chloropropoxy)-6-methoxy-3-quinolinecarbonitrile IUPAC Name: 4-(1-benzofuran-7-ylamino)-7-(3-chloropropoxy)-6-methoxyquinoline-3-carbonitrile Traditional Name: 4-(benzofuran-7-ylamino)-7-(3-chloropropoxy)-6-methoxy-quinoline-3-carbonitrile Formula: C22H18ClN3O3 MolecularWeight: 407.84962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=C(C=N2)C#N)NC3=CC=CC4=C3OC=C4)OCCCCl

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=C(C=N2)C#N)NC3=CC=CC4=C3OC=C4)OCCCCl

InChI

InChI=1S/C22H18ClN3O3/c1-27-19-10-16-18(11-20(19)28-8-3-7-23)25-13-15(12-24)21(16)26-17-5-2-4-14-6-9-29-22(14)17/h2,4-6,9-11,13H,3,7-8H2,1H3,(H,25,26)