6-azanyl-4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-7-[4-(2-dimethylaminoethyl)piperazin-1-yl]quinoline-3-carbonitrile

Systemtic Name: 6-azanyl-4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-7-[4-(2-dimethylaminoethyl)piperazin-1-yl]quinoline-3-carbonitrile Openeye Name: 6-amino-4-(3-chloro-4-fluoro-anilino)-7-[4-(2-dimethylaminoethyl)piperazin-1-yl]quinoline-3-carbonitrile CAS Name: 6-amino-4-(3-chloro-4-fluoroanilino)-7-[4-(2-dimethylaminoethyl)-1-piperazinyl]-3-quinolinecarbonitrile IUPAC Name: 6-amino-4-(3-chloro-4-fluoroanilino)-7-[4-(2-dimethylaminoethyl)piperazin-1-yl]quinoline-3-carbonitrile Traditional Name: 6-amino-4-(3-chloro-4-fluoro-anilino)-7-[4-(2-dimethylaminoethyl)piperazino]quinoline-3-carbonitrile Formula: C24H27ClFN7 MolecularWeight: 467.969483

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN1CCN(CC1)C2=C(C=C3C(=C2)N=CC(=C3NC4=CC(=C(C=C4)F)Cl)C#N)N

Isomeric SMILES

CN(C)CCN1CCN(CC1)C2=C(C=C3C(=C2)N=CC(=C3NC4=CC(=C(C=C4)F)Cl)C#N)N

InChI

InChI=1S/C24H27ClFN7/c1-31(2)5-6-32-7-9-33(10-8-32)23-13-22-18(12-21(23)28)24(16(14-27)15-29-22)30-17-3-4-20(26)19(25)11-17/h3-4,11-13,15H,5-10,28H2,1-2H3,(H,29,30)