6-methoxy-7-(3-morpholin-4-ylpropoxy)-4-[[4-(thiophen-2-ylmethyl)phenyl]amino]quinoline-3-carbonitrile

Systemtic Name: 6-methoxy-7-(3-morpholin-4-ylpropoxy)-4-[[4-(thiophen-2-ylmethyl)phenyl]amino]quinoline-3-carbonitrile Openeye Name: 6-methoxy-7-(3-morpholinopropoxy)-4-[4-(2-thienylmethyl)anilino]quinoline-3-carbonitrile CAS Name: 6-methoxy-7-[3-(4-morpholinyl)propoxy]-4-[4-(thiophen-2-ylmethyl)anilino]-3-quinolinecarbonitrile IUPAC Name: 6-methoxy-7-(3-morpholin-4-ylpropoxy)-4-[4-(thiophen-2-ylmethyl)anilino]quinoline-3-carbonitrile Traditional Name: 6-methoxy-7-(3-morpholinopropoxy)-4-[4-(2-thenyl)anilino]quinoline-3-carbonitrile Formula: C29H30N4O3S MolecularWeight: 514.6385

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=C(C=N2)C#N)NC3=CC=C(C=C3)CC4=CC=CS4)OCCCN5CCOCC5

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=C(C=N2)C#N)NC3=CC=C(C=C3)CC4=CC=CS4)OCCCN5CCOCC5

InChI

InChI=1S/C29H30N4O3S/c1-34-27-17-25-26(18-28(27)36-12-3-9-33-10-13-35-14-11-33)31-20-22(19-30)29(25)32-23-7-5-21(6-8-23)16-24-4-2-15-37-24/h2,4-8,15,17-18,20H,3,9-14,16H2,1H3,(H,31,32)