N-butan-2-yl-3-pyrimidin-2-yl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-carboxamide

Systemtic Name: N-butan-2-yl-3-pyrimidin-2-yl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-carboxamide Openeye Name: 3-pyrimidin-2-yl-N-sec-butyl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-carboxamide CAS Name: N-butan-2-yl-3-(2-pyrimidinyl)-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-carboxamide IUPAC Name: N-butan-2-yl-3-pyrimidin-2-yl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-carboxamide Traditional Name: 3-(2-pyrimidyl)-N-sec-butyl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-carboxamide Formula: C21H27N5O MolecularWeight: 365.47198

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1CC2=CC=CC=C2N3C1CN(CC3)C4=NC=CC=N4

Isomeric SMILES

CCC(C)NC(=O)C1CC2=CC=CC=C2N3C1CN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C21H27N5O/c1-3-15(2)24-20(27)17-13-16-7-4-5-8-18(16)26-12-11-25(14-19(17)26)21-22-9-6-10-23-21/h4-10,15,17,19H,3,11-14H2,1-2H3,(H,24,27)