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

Systemtic Name: 7-[5-[(2-dimethylaminoethylamino)methyl]thiophen-3-yl]-4-[(2,4-dimethylphenyl)amino]quinoline-3-carbonitrile Openeye Name: 7-[5-[(2-dimethylaminoethylamino)methyl]-3-thienyl]-4-(2,4-dimethylanilino)quinoline-3-carbonitrile CAS Name: 7-[5-[(2-dimethylaminoethylamino)methyl]-3-thiophenyl]-4-(2,4-dimethylanilino)-3-quinolinecarbonitrile IUPAC Name: 7-[5-[(2-dimethylaminoethylamino)methyl]thiophen-3-yl]-4-(2,4-dimethylanilino)quinoline-3-carbonitrile Traditional Name: 7-[5-[(2-dimethylaminoethylamino)methyl]-3-thienyl]-4-(2,4-dimethylanilino)quinoline-3-carbonitrile Formula: C27H29N5S MolecularWeight: 455.61766

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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)CNCCN(C)C)C

Isomeric SMILES

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

InChI

InChI=1S/C27H29N5S/c1-18-5-8-25(19(2)11-18)31-27-22(14-28)15-30-26-13-20(6-7-24(26)27)21-12-23(33-17-21)16-29-9-10-32(3)4/h5-8,11-13,15,17,29H,9-10,16H2,1-4H3,(H,30,31)