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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)CC2=CC=C(S2)C3=CC4=NC=C(C(=C4C=C3)NC5=C(C=C(C=C5)C)C)C#N

Isomeric SMILES

CCN1CCN(CC1)CC2=CC=C(S2)C3=CC4=NC=C(C(=C4C=C3)NC5=C(C=C(C=C5)C)C)C#N

InChI

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