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

Systemtic Name: 4-[(2,4-dimethylphenyl)amino]-7-[5-(piperidin-1-ylmethyl)furan-2-yl]quinoline-3-carbonitrile Openeye Name: 4-(2,4-dimethylanilino)-7-[5-(1-piperidylmethyl)-2-furyl]quinoline-3-carbonitrile CAS Name: 4-(2,4-dimethylanilino)-7-[5-(1-piperidinylmethyl)-2-furanyl]-3-quinolinecarbonitrile IUPAC Name: 4-(2,4-dimethylanilino)-7-[5-(piperidin-1-ylmethyl)furan-2-yl]quinoline-3-carbonitrile Traditional Name: 4-(2,4-dimethylanilino)-7-[5-(piperidinomethyl)-2-furyl]quinoline-3-carbonitrile Formula: C28H28N4O MolecularWeight: 436.54812

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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)CN5CCCCC5)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC2=C3C=CC(=CC3=NC=C2C#N)C4=CC=C(O4)CN5CCCCC5)C

InChI

InChI=1S/C28H28N4O/c1-19-6-10-25(20(2)14-19)31-28-22(16-29)17-30-26-15-21(7-9-24(26)28)27-11-8-23(33-27)18-32-12-4-3-5-13-32/h6-11,14-15,17H,3-5,12-13,18H2,1-2H3,(H,30,31)