4-[[4-(furan-3-ylmethyl)phenyl]amino]-7-[(pyridin-4-ylmethylamino)methyl]quinoline-5-carbonitrile

Systemtic Name: 4-[[4-(furan-3-ylmethyl)phenyl]amino]-7-[(pyridin-4-ylmethylamino)methyl]quinoline-5-carbonitrile Openeye Name: 4-[4-(3-furylmethyl)anilino]-7-[(4-pyridylmethylamino)methyl]quinoline-5-carbonitrile CAS Name: 4-[4-(3-furanylmethyl)anilino]-7-[(pyridin-4-ylmethylamino)methyl]-5-quinolinecarbonitrile IUPAC Name: 4-[4-(furan-3-ylmethyl)anilino]-7-[(pyridin-4-ylmethylamino)methyl]quinoline-5-carbonitrile Traditional Name: 4-[4-(3-furfuryl)anilino]-7-[(4-pyridylmethylamino)methyl]quinoline-5-carbonitrile Formula: C28H23N5O MolecularWeight: 445.51512

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC2=COC=C2)NC3=C4C(=CC(=CC4=NC=C3)CNCC5=CC=NC=C5)C#N

Isomeric SMILES

C1=CC(=CC=C1CC2=COC=C2)NC3=C4C(=CC(=CC4=NC=C3)CNCC5=CC=NC=C5)C#N

InChI

InChI=1S/C28H23N5O/c29-16-24-14-23(18-31-17-21-5-9-30-10-6-21)15-27-28(24)26(7-11-32-27)33-25-3-1-20(2-4-25)13-22-8-12-34-19-22/h1-12,14-15,19,31H,13,17-18H2,(H,32,33)