4-[[4-(furan-3-ylmethyl)phenyl]amino]-7-[5-(piperidin-1-ylmethyl)thiophen-3-yl]quinoline-3-carbonitrile

Systemtic Name: 4-[[4-(furan-3-ylmethyl)phenyl]amino]-7-[5-(piperidin-1-ylmethyl)thiophen-3-yl]quinoline-3-carbonitrile Openeye Name: 4-[4-(3-furylmethyl)anilino]-7-[5-(1-piperidylmethyl)-3-thienyl]quinoline-3-carbonitrile CAS Name: 4-[4-(3-furanylmethyl)anilino]-7-[5-(1-piperidinylmethyl)-3-thiophenyl]-3-quinolinecarbonitrile IUPAC Name: 4-[4-(furan-3-ylmethyl)anilino]-7-[5-(piperidin-1-ylmethyl)thiophen-3-yl]quinoline-3-carbonitrile Traditional Name: 4-[4-(3-furfuryl)anilino]-7-[5-(piperidinomethyl)-3-thienyl]quinoline-3-carbonitrile Formula: C31H28N4OS MolecularWeight: 504.64522

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=CC(=CS2)C3=CC4=NC=C(C(=C4C=C3)NC5=CC=C(C=C5)CC6=COC=C6)C#N

Isomeric SMILES

C1CCN(CC1)CC2=CC(=CS2)C3=CC4=NC=C(C(=C4C=C3)NC5=CC=C(C=C5)CC6=COC=C6)C#N

InChI

InChI=1S/C31H28N4OS/c32-17-26-18-33-30-16-24(25-15-28(37-21-25)19-35-11-2-1-3-12-35)6-9-29(30)31(26)34-27-7-4-22(5-8-27)14-23-10-13-36-20-23/h4-10,13,15-16,18,20-21H,1-3,11-12,14,19H2,(H,33,34)