4-[[2,4-bis(chloranyl)-5-methoxy-phenyl]amino]-7-[5-[(pyridin-4-ylmethylamino)methyl]thiophen-3-yl]quinoline-3-carbonitrile

Systemtic Name: 4-[[2,4-bis(chloranyl)-5-methoxy-phenyl]amino]-7-[5-[(pyridin-4-ylmethylamino)methyl]thiophen-3-yl]quinoline-3-carbonitrile Openeye Name: 4-(2,4-dichloro-5-methoxy-anilino)-7-[5-[(4-pyridylmethylamino)methyl]-3-thienyl]quinoline-3-carbonitrile CAS Name: 4-(2,4-dichloro-5-methoxyanilino)-7-[5-[(pyridin-4-ylmethylamino)methyl]-3-thiophenyl]-3-quinolinecarbonitrile IUPAC Name: 4-(2,4-dichloro-5-methoxyanilino)-7-[5-[(pyridin-4-ylmethylamino)methyl]thiophen-3-yl]quinoline-3-carbonitrile Traditional Name: 4-(2,4-dichloro-5-methoxy-anilino)-7-[5-[(4-pyridylmethylamino)methyl]-3-thienyl]quinoline-3-carbonitrile Formula: C28H21Cl2N5OS MolecularWeight: 546.47024

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)NC2=C3C=CC(=CC3=NC=C2C#N)C4=CSC(=C4)CNCC5=CC=NC=C5)Cl)Cl

Isomeric SMILES

COC1=C(C=C(C(=C1)NC2=C3C=CC(=CC3=NC=C2C#N)C4=CSC(=C4)CNCC5=CC=NC=C5)Cl)Cl

InChI

InChI=1S/C28H21Cl2N5OS/c1-36-27-11-26(23(29)10-24(27)30)35-28-20(12-31)14-34-25-9-18(2-3-22(25)28)19-8-21(37-16-19)15-33-13-17-4-6-32-7-5-17/h2-11,14,16,33H,13,15H2,1H3,(H,34,35)