4-[[3-methyl-4-(pyridin-2-ylmethoxy)phenyl]amino]-7-(morpholin-4-ylmethyl)-5-thiophen-3-yl-quinoline-3-carbonitrile

Systemtic Name: 4-[[3-methyl-4-(pyridin-2-ylmethoxy)phenyl]amino]-7-(morpholin-4-ylmethyl)-5-thiophen-3-yl-quinoline-3-carbonitrile Openeye Name: 4-[3-methyl-4-(2-pyridylmethoxy)anilino]-7-(morpholinomethyl)-5-(3-thienyl)quinoline-3-carbonitrile CAS Name: 4-[3-methyl-4-(2-pyridinylmethoxy)anilino]-7-(4-morpholinylmethyl)-5-(3-thiophenyl)-3-quinolinecarbonitrile IUPAC Name: 4-[3-methyl-4-(pyridin-2-ylmethoxy)anilino]-7-(morpholin-4-ylmethyl)-5-thiophen-3-ylquinoline-3-carbonitrile Traditional Name: 4-[3-methyl-4-(2-pyridylmethoxy)anilino]-7-(morpholinomethyl)-5-(3-thienyl)quinoline-3-carbonitrile Formula: C32H29N5O2S MolecularWeight: 547.66996

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC2=C3C(=CC(=CC3=NC=C2C#N)CN4CCOCC4)C5=CSC=C5)OCC6=CC=CC=N6

Isomeric SMILES

CC1=C(C=CC(=C1)NC2=C3C(=CC(=CC3=NC=C2C#N)CN4CCOCC4)C5=CSC=C5)OCC6=CC=CC=N6

InChI

InChI=1S/C32H29N5O2S/c1-22-14-26(5-6-30(22)39-20-27-4-2-3-8-34-27)36-32-25(17-33)18-35-29-16-23(19-37-9-11-38-12-10-37)15-28(31(29)32)24-7-13-40-21-24/h2-8,13-16,18,21H,9-12,19-20H2,1H3,(H,35,36)