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

Systemtic Name: 4-[(2,4-dimethylphenyl)amino]-7-[5-[(4-ethylpiperazin-1-yl)methyl]thiophen-3-yl]quinoline-3-carbonitrile Openeye Name: 4-(2,4-dimethylanilino)-7-[5-[(4-ethylpiperazin-1-yl)methyl]-3-thienyl]quinoline-3-carbonitrile CAS Name: 4-(2,4-dimethylanilino)-7-[5-[(4-ethyl-1-piperazinyl)methyl]-3-thiophenyl]-3-quinolinecarbonitrile IUPAC Name: 4-(2,4-dimethylanilino)-7-[5-[(4-ethylpiperazin-1-yl)methyl]thiophen-3-yl]quinoline-3-carbonitrile Traditional Name: 4-(2,4-dimethylanilino)-7-[5-[(4-ethylpiperazino)methyl]-3-thienyl]quinoline-3-carbonitrile Formula: C29H31N5S MolecularWeight: 481.65494

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)CC2=CC(=CS2)C3=CC4=NC=C(C(=C4C=C3)NC5=C(C=C(C=C5)C)C)C#N

Isomeric SMILES

CCN1CCN(CC1)CC2=CC(=CS2)C3=CC4=NC=C(C(=C4C=C3)NC5=C(C=C(C=C5)C)C)C#N

InChI

InChI=1S/C29H31N5S/c1-4-33-9-11-34(12-10-33)18-25-14-23(19-35-25)22-6-7-26-28(15-22)31-17-24(16-30)29(26)32-27-8-5-20(2)13-21(27)3/h5-8,13-15,17,19H,4,9-12,18H2,1-3H3,(H,31,32)