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

Systemtic Name: 4-[(2,4-dimethylphenyl)amino]-7-[5-[(4-methylpiperazin-1-yl)methyl]thiophen-3-yl]quinoline-3-carbonitrile Openeye Name: 4-(2,4-dimethylanilino)-7-[5-[(4-methylpiperazin-1-yl)methyl]-3-thienyl]quinoline-3-carbonitrile CAS Name: 4-(2,4-dimethylanilino)-7-[5-[(4-methyl-1-piperazinyl)methyl]-3-thiophenyl]-3-quinolinecarbonitrile IUPAC Name: 4-(2,4-dimethylanilino)-7-[5-[(4-methylpiperazin-1-yl)methyl]thiophen-3-yl]quinoline-3-carbonitrile Traditional Name: 4-(2,4-dimethylanilino)-7-[5-[(4-methylpiperazino)methyl]-3-thienyl]quinoline-3-carbonitrile Formula: C28H29N5S MolecularWeight: 467.62836

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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)CN5CCN(CC5)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC2=C3C=CC(=CC3=NC=C2C#N)C4=CSC(=C4)CN5CCN(CC5)C)C

InChI

InChI=1S/C28H29N5S/c1-19-4-7-26(20(2)12-19)31-28-23(15-29)16-30-27-14-21(5-6-25(27)28)22-13-24(34-18-22)17-33-10-8-32(3)9-11-33/h4-7,12-14,16,18H,8-11,17H2,1-3H3,(H,30,31)