N-[4-(4-ethylpiperazin-1-yl)-3-methyl-phenyl]-2-pyridin-4-yl-quinoline-4-carboxamide

Systemtic Name: N-[4-(4-ethylpiperazin-1-yl)-3-methyl-phenyl]-2-pyridin-4-yl-quinoline-4-carboxamide Openeye Name: N-[4-(4-ethylpiperazin-1-yl)-3-methyl-phenyl]-2-(4-pyridyl)quinoline-4-carboxamide CAS Name: N-[4-(4-ethyl-1-piperazinyl)-3-methylphenyl]-2-pyridin-4-yl-4-quinolinecarboxamide IUPAC Name: N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]-2-pyridin-4-ylquinoline-4-carboxamide Traditional Name: N-[4-(4-ethylpiperazino)-3-methyl-phenyl]-2-(4-pyridyl)cinchoninamide Formula: C28H29N5O MolecularWeight: 451.56276

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=NC=C5)C

Isomeric SMILES

CCN1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=NC=C5)C

InChI

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