4-[(4-bromanyl-2-chloranyl-6-methyl-phenyl)amino]-7-[5-[(4-ethylpiperazin-1-yl)methyl]furan-2-yl]quinoline-3-carbonitrile

Systemtic Name: 4-[(4-bromanyl-2-chloranyl-6-methyl-phenyl)amino]-7-[5-[(4-ethylpiperazin-1-yl)methyl]furan-2-yl]quinoline-3-carbonitrile Openeye Name: 4-(4-bromo-2-chloro-6-methyl-anilino)-7-[5-[(4-ethylpiperazin-1-yl)methyl]-2-furyl]quinoline-3-carbonitrile CAS Name: 4-(4-bromo-2-chloro-6-methylanilino)-7-[5-[(4-ethyl-1-piperazinyl)methyl]-2-furanyl]-3-quinolinecarbonitrile IUPAC Name: 4-(4-bromo-2-chloro-6-methylanilino)-7-[5-[(4-ethylpiperazin-1-yl)methyl]furan-2-yl]quinoline-3-carbonitrile Traditional Name: 4-(4-bromo-2-chloro-6-methyl-anilino)-7-[5-[(4-ethylpiperazino)methyl]-2-furyl]quinoline-3-carbonitrile Formula: C28H27BrClN5O MolecularWeight: 564.90388

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)CC2=CC=C(O2)C3=CC4=NC=C(C(=C4C=C3)NC5=C(C=C(C=C5C)Br)Cl)C#N

Isomeric SMILES

CCN1CCN(CC1)CC2=CC=C(O2)C3=CC4=NC=C(C(=C4C=C3)NC5=C(C=C(C=C5C)Br)Cl)C#N

InChI

InChI=1S/C28H27BrClN5O/c1-3-34-8-10-35(11-9-34)17-22-5-7-26(36-22)19-4-6-23-25(13-19)32-16-20(15-31)28(23)33-27-18(2)12-21(29)14-24(27)30/h4-7,12-14,16H,3,8-11,17H2,1-2H3,(H,32,33)