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

Systemtic Name: 4-[(2,4-dimethylphenyl)amino]-7-[5-(piperidin-1-ylmethyl)thiophen-3-yl]quinoline-3-carbonitrile Openeye Name: 4-(2,4-dimethylanilino)-7-[5-(1-piperidylmethyl)-3-thienyl]quinoline-3-carbonitrile CAS Name: 4-(2,4-dimethylanilino)-7-[5-(1-piperidinylmethyl)-3-thiophenyl]-3-quinolinecarbonitrile IUPAC Name: 4-(2,4-dimethylanilino)-7-[5-(piperidin-1-ylmethyl)thiophen-3-yl]quinoline-3-carbonitrile Traditional Name: 4-(2,4-dimethylanilino)-7-[5-(piperidinomethyl)-3-thienyl]quinoline-3-carbonitrile Formula: C28H28N4S MolecularWeight: 452.61372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H28N4S/c1-19-6-9-26(20(2)12-19)31-28-23(15-29)16-30-27-14-21(7-8-25(27)28)22-13-24(33-18-22)17-32-10-4-3-5-11-32/h6-9,12-14,16,18H,3-5,10-11,17H2,1-2H3,(H,30,31)