4-[[4-(furan-3-ylmethyl)phenyl]amino]-7-[5-[(3-morpholin-4-ylpropylamino)methyl]thiophen-3-yl]quinoline-3-carbonitrile

Systemtic Name: 4-[[4-(furan-3-ylmethyl)phenyl]amino]-7-[5-[(3-morpholin-4-ylpropylamino)methyl]thiophen-3-yl]quinoline-3-carbonitrile Openeye Name: 4-[4-(3-furylmethyl)anilino]-7-[5-[(3-morpholinopropylamino)methyl]-3-thienyl]quinoline-3-carbonitrile CAS Name: 4-[4-(3-furanylmethyl)anilino]-7-[5-[[3-(4-morpholinyl)propylamino]methyl]-3-thiophenyl]-3-quinolinecarbonitrile IUPAC Name: 4-[4-(furan-3-ylmethyl)anilino]-7-[5-[(3-morpholin-4-ylpropylamino)methyl]thiophen-3-yl]quinoline-3-carbonitrile Traditional Name: 4-[4-(3-furfuryl)anilino]-7-[5-[(3-morpholinopropylamino)methyl]-3-thienyl]quinoline-3-carbonitrile Formula: C33H33N5O2S MolecularWeight: 563.71242

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCCNCC2=CC(=CS2)C3=CC4=NC=C(C(=C4C=C3)NC5=CC=C(C=C5)CC6=COC=C6)C#N

Isomeric SMILES

C1COCCN1CCCNCC2=CC(=CS2)C3=CC4=NC=C(C(=C4C=C3)NC5=CC=C(C=C5)CC6=COC=C6)C#N

InChI

InChI=1S/C33H33N5O2S/c34-19-28-20-36-32-18-26(27-17-30(41-23-27)21-35-9-1-10-38-11-14-39-15-12-38)4-7-31(32)33(28)37-29-5-2-24(3-6-29)16-25-8-13-40-22-25/h2-8,13,17-18,20,22-23,35H,1,9-12,14-16,21H2,(H,36,37)