4-[(2,4-dimethylphenyl)amino]-7-[5-[(4-methylpiperazin-1-yl)methyl]furan-2-yl]quinoline-3-carbonitrile

Systemtic Name: 4-[(2,4-dimethylphenyl)amino]-7-[5-[(4-methylpiperazin-1-yl)methyl]furan-2-yl]quinoline-3-carbonitrile Openeye Name: 4-(2,4-dimethylanilino)-7-[5-[(4-methylpiperazin-1-yl)methyl]-2-furyl]quinoline-3-carbonitrile CAS Name: 4-(2,4-dimethylanilino)-7-[5-[(4-methyl-1-piperazinyl)methyl]-2-furanyl]-3-quinolinecarbonitrile IUPAC Name: 4-(2,4-dimethylanilino)-7-[5-[(4-methylpiperazin-1-yl)methyl]furan-2-yl]quinoline-3-carbonitrile Traditional Name: 4-(2,4-dimethylanilino)-7-[5-[(4-methylpiperazino)methyl]-2-furyl]quinoline-3-carbonitrile Formula: C28H29N5O MolecularWeight: 451.56276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC2=C3C=CC(=CC3=NC=C2C#N)C4=CC=C(O4)CN5CCN(CC5)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC2=C3C=CC(=CC3=NC=C2C#N)C4=CC=C(O4)CN5CCN(CC5)C)C

InChI

InChI=1S/C28H29N5O/c1-19-4-8-25(20(2)14-19)31-28-22(16-29)17-30-26-15-21(5-7-24(26)28)27-9-6-23(34-27)18-33-12-10-32(3)11-13-33/h4-9,14-15,17H,10-13,18H2,1-3H3,(H,30,31)