4-[(3-chloranyl-2-fluoranyl-phenyl)amino]-7-methoxy-6-[1-(2-oxidanylidene-2-piperazin-1-yl-ethyl)piperidin-4-yl]oxy-quinoline-3-carbonitrile

Systemtic Name: 4-[(3-chloranyl-2-fluoranyl-phenyl)amino]-7-methoxy-6-[1-(2-oxidanylidene-2-piperazin-1-yl-ethyl)piperidin-4-yl]oxy-quinoline-3-carbonitrile Openeye Name: 4-(3-chloro-2-fluoro-anilino)-7-methoxy-6-[[1-(2-oxo-2-piperazin-1-yl-ethyl)-4-piperidyl]oxy]quinoline-3-carbonitrile CAS Name: 4-(3-chloro-2-fluoroanilino)-7-methoxy-6-[[1-[2-oxo-2-(1-piperazinyl)ethyl]-4-piperidinyl]oxy]-3-quinolinecarbonitrile IUPAC Name: 4-(3-chloro-2-fluoroanilino)-7-methoxy-6-[1-(2-oxo-2-piperazin-1-ylethyl)piperidin-4-yl]oxyquinoline-3-carbonitrile Traditional Name: 4-(3-chloro-2-fluoro-anilino)-6-[[1-(2-keto-2-piperazino-ethyl)-4-piperidyl]oxy]-7-methoxy-quinoline-3-carbonitrile Formula: C28H30ClFN6O3 MolecularWeight: 553.027603

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)N=CC(=C2NC3=C(C(=CC=C3)Cl)F)C#N)OC4CCN(CC4)CC(=O)N5CCNCC5

Isomeric SMILES

COC1=C(C=C2C(=C1)N=CC(=C2NC3=C(C(=CC=C3)Cl)F)C#N)OC4CCN(CC4)CC(=O)N5CCNCC5

InChI

InChI=1S/C28H30ClFN6O3/c1-38-24-14-23-20(28(18(15-31)16-33-23)34-22-4-2-3-21(29)27(22)30)13-25(24)39-19-5-9-35(10-6-19)17-26(37)36-11-7-32-8-12-36/h2-4,13-14,16,19,32H,5-12,17H2,1H3,(H,33,34)