4-[(2,4-dimethylphenyl)amino]-7-[5-[(4-oxidanylpiperidin-1-yl)methyl]furan-2-yl]quinoline-3-carbonitrile

Systemtic Name: 4-[(2,4-dimethylphenyl)amino]-7-[5-[(4-oxidanylpiperidin-1-yl)methyl]furan-2-yl]quinoline-3-carbonitrile Openeye Name: 4-(2,4-dimethylanilino)-7-[5-[(4-hydroxy-1-piperidyl)methyl]-2-furyl]quinoline-3-carbonitrile CAS Name: 4-(2,4-dimethylanilino)-7-[5-[(4-hydroxy-1-piperidinyl)methyl]-2-furanyl]-3-quinolinecarbonitrile IUPAC Name: 4-(2,4-dimethylanilino)-7-[5-[(4-hydroxypiperidin-1-yl)methyl]furan-2-yl]quinoline-3-carbonitrile Traditional Name: 4-(2,4-dimethylanilino)-7-[5-[(4-hydroxypiperidino)methyl]-2-furyl]quinoline-3-carbonitrile Formula: C28H28N4O2 MolecularWeight: 452.54752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC2=C3C=CC(=CC3=NC=C2C#N)C4=CC=C(O4)CN5CCC(CC5)O)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC2=C3C=CC(=CC3=NC=C2C#N)C4=CC=C(O4)CN5CCC(CC5)O)C

InChI

InChI=1S/C28H28N4O2/c1-18-3-7-25(19(2)13-18)31-28-21(15-29)16-30-26-14-20(4-6-24(26)28)27-8-5-23(34-27)17-32-11-9-22(33)10-12-32/h3-8,13-14,16,22,33H,9-12,17H2,1-2H3,(H,30,31)