6-ethoxy-2-methyl-4-oxidanylidene-1-(phenylmethyl)-5-(4-pyrimidin-2-ylpiperazin-1-yl)quinoline-3-carboxamide

Systemtic Name: 6-ethoxy-2-methyl-4-oxidanylidene-1-(phenylmethyl)-5-(4-pyrimidin-2-ylpiperazin-1-yl)quinoline-3-carboxamide Openeye Name: 1-benzyl-6-ethoxy-2-methyl-4-oxo-5-(4-pyrimidin-2-ylpiperazin-1-yl)quinoline-3-carboxamide CAS Name: 6-ethoxy-2-methyl-4-oxo-1-(phenylmethyl)-5-[4-(2-pyrimidinyl)-1-piperazinyl]-3-quinolinecarboxamide IUPAC Name: 1-benzyl-6-ethoxy-2-methyl-4-oxo-5-(4-pyrimidin-2-ylpiperazin-1-yl)quinoline-3-carboxamide Traditional Name: 1-benzyl-6-ethoxy-4-keto-2-methyl-5-[4-(2-pyrimidyl)piperazino]quinoline-3-carboxamide Formula: C28H30N6O3 MolecularWeight: 498.5762

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C2=C(C=C1)N(C(=C(C2=O)C(=O)N)C)CC3=CC=CC=C3)N4CCN(CC4)C5=NC=CC=N5

Isomeric SMILES

CCOC1=C(C2=C(C=C1)N(C(=C(C2=O)C(=O)N)C)CC3=CC=CC=C3)N4CCN(CC4)C5=NC=CC=N5

InChI

InChI=1S/C28H30N6O3/c1-3-37-22-11-10-21-24(25(22)32-14-16-33(17-15-32)28-30-12-7-13-31-28)26(35)23(27(29)36)19(2)34(21)18-20-8-5-4-6-9-20/h4-13H,3,14-18H2,1-2H3,(H2,29,36)