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

Systemtic Name: 6-methoxy-7-(3-morpholin-4-ylpropoxy)-4-[[4-(thiophen-3-ylmethyl)phenyl]amino]quinoline-3-carbonitrile Openeye Name: 6-methoxy-7-(3-morpholinopropoxy)-4-[4-(3-thienylmethyl)anilino]quinoline-3-carbonitrile CAS Name: 6-methoxy-7-[3-(4-morpholinyl)propoxy]-4-[4-(3-thiophenylmethyl)anilino]-3-quinolinecarbonitrile IUPAC Name: 6-methoxy-7-(3-morpholin-4-ylpropoxy)-4-[4-(thiophen-3-ylmethyl)anilino]quinoline-3-carbonitrile Traditional Name: 6-methoxy-7-(3-morpholinopropoxy)-4-[4-(3-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=CSC=C4)OCCCN5CCOCC5

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=C(C=N2)C#N)NC3=CC=C(C=C3)CC4=CSC=C4)OCCCN5CCOCC5

InChI

InChI=1S/C29H30N4O3S/c1-34-27-16-25-26(17-28(27)36-11-2-8-33-9-12-35-13-10-33)31-19-23(18-30)29(25)32-24-5-3-21(4-6-24)15-22-7-14-37-20-22/h3-7,14,16-17,19-20H,2,8-13,15H2,1H3,(H,31,32)