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

Systemtic Name: 4-[(2,4-dimethylphenyl)amino]-7-[5-[(pyridin-4-ylmethylamino)methyl]thiophen-3-yl]quinoline-3-carbonitrile Openeye Name: 4-(2,4-dimethylanilino)-7-[5-[(4-pyridylmethylamino)methyl]-3-thienyl]quinoline-3-carbonitrile CAS Name: 4-(2,4-dimethylanilino)-7-[5-[(pyridin-4-ylmethylamino)methyl]-3-thiophenyl]-3-quinolinecarbonitrile IUPAC Name: 4-(2,4-dimethylanilino)-7-[5-[(pyridin-4-ylmethylamino)methyl]thiophen-3-yl]quinoline-3-carbonitrile Traditional Name: 4-(2,4-dimethylanilino)-7-[5-[(4-pyridylmethylamino)methyl]-3-thienyl]quinoline-3-carbonitrile Formula: C29H25N5S MolecularWeight: 475.6073

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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)CNCC5=CC=NC=C5)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC2=C3C=CC(=CC3=NC=C2C#N)C4=CSC(=C4)CNCC5=CC=NC=C5)C

InChI

InChI=1S/C29H25N5S/c1-19-3-6-27(20(2)11-19)34-29-24(14-30)16-33-28-13-22(4-5-26(28)29)23-12-25(35-18-23)17-32-15-21-7-9-31-10-8-21/h3-13,16,18,32H,15,17H2,1-2H3,(H,33,34)