6-methoxy-4-oxidanylidene-1-(phenylmethyl)-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinoline-3-carboxamide

Systemtic Name: 6-methoxy-4-oxidanylidene-1-(phenylmethyl)-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinoline-3-carboxamide Openeye Name: 1-benzyl-6-methoxy-4-oxo-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinoline-3-carboxamide CAS Name: 6-methoxy-4-oxo-1-(phenylmethyl)-2-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-3-quinolinecarboxamide IUPAC Name: 1-benzyl-6-methoxy-4-oxo-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinoline-3-carboxamide Traditional Name: 1-benzyl-4-keto-6-methoxy-2-[[4-(2-pyrimidyl)piperazino]methyl]quinoline-3-carboxamide Formula: C27H28N6O3 MolecularWeight: 484.54962

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N(C(=C(C2=O)C(=O)N)CN3CCN(CC3)C4=NC=CC=N4)CC5=CC=CC=C5

Isomeric SMILES

COC1=CC2=C(C=C1)N(C(=C(C2=O)C(=O)N)CN3CCN(CC3)C4=NC=CC=N4)CC5=CC=CC=C5

InChI

InChI=1S/C27H28N6O3/c1-36-20-8-9-22-21(16-20)25(34)24(26(28)35)23(33(22)17-19-6-3-2-4-7-19)18-31-12-14-32(15-13-31)27-29-10-5-11-30-27/h2-11,16H,12-15,17-18H2,1H3,(H2,28,35)