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

Systemtic Name: 6-methoxy-7-(3-morpholin-4-ylpropoxy)-4-[[4-(phenylmethyl)phenyl]amino]quinoline-3-carbonitrile Openeye Name: 4-(4-benzylanilino)-6-methoxy-7-(3-morpholinopropoxy)quinoline-3-carbonitrile CAS Name: 6-methoxy-7-[3-(4-morpholinyl)propoxy]-4-[4-(phenylmethyl)anilino]-3-quinolinecarbonitrile IUPAC Name: 4-(4-benzylanilino)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinoline-3-carbonitrile Traditional Name: 4-(4-benzylanilino)-6-methoxy-7-(3-morpholinopropoxy)quinoline-3-carbonitrile Formula: C31H32N4O3 MolecularWeight: 508.61078

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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=CC=C4)OCCCN5CCOCC5

Isomeric SMILES

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

InChI

InChI=1S/C31H32N4O3/c1-36-29-19-27-28(20-30(29)38-15-5-12-35-13-16-37-17-14-35)33-22-25(21-32)31(27)34-26-10-8-24(9-11-26)18-23-6-3-2-4-7-23/h2-4,6-11,19-20,22H,5,12-18H2,1H3,(H,33,34)