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

Systemtic Name: 4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-7-[4-(2-dimethylaminoethyl)piperazin-1-yl]-6-nitro-quinoline-3-carbonitrile Openeye Name: 4-(3-chloro-4-fluoro-anilino)-7-[4-(2-dimethylaminoethyl)piperazin-1-yl]-6-nitro-quinoline-3-carbonitrile CAS Name: 4-(3-chloro-4-fluoroanilino)-7-[4-(2-dimethylaminoethyl)-1-piperazinyl]-6-nitro-3-quinolinecarbonitrile IUPAC Name: 4-(3-chloro-4-fluoroanilino)-7-[4-(2-dimethylaminoethyl)piperazin-1-yl]-6-nitroquinoline-3-carbonitrile Traditional Name: 4-(3-chloro-4-fluoro-anilino)-7-[4-(2-dimethylaminoethyl)piperazino]-6-nitro-quinoline-3-carbonitrile Formula: C24H25ClFN7O2 MolecularWeight: 497.952403

Click to see the large picture

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+](=O)[O-]

Isomeric SMILES

CN(C)CCN1CCN(CC1)C2=C(C=C3C(=C2)N=CC(=C3NC4=CC(=C(C=C4)F)Cl)C#N)[N+](=O)[O-]

InChI

InChI=1S/C24H25ClFN7O2/c1-30(2)5-6-31-7-9-32(10-8-31)22-13-21-18(12-23(22)33(34)35)24(16(14-27)15-28-21)29-17-3-4-20(26)19(25)11-17/h3-4,11-13,15H,5-10H2,1-2H3,(H,28,29)