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

Systemtic Name: N-phenethyl-3-pyrimidin-2-yl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-carboxamide Openeye Name: N-phenethyl-3-pyrimidin-2-yl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-carboxamide CAS Name: N-phenethyl-3-(2-pyrimidinyl)-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-carboxamide IUPAC Name: N-phenethyl-3-pyrimidin-2-yl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-carboxamide Traditional Name: N-phenethyl-3-(2-pyrimidyl)-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-carboxamide Formula: C25H27N5O MolecularWeight: 413.51478

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2C(CN1C3=NC=CC=N3)C(CC4=CC=CC=C42)C(=O)NCCC5=CC=CC=C5

Isomeric SMILES

C1CN2C(CN1C3=NC=CC=N3)C(CC4=CC=CC=C42)C(=O)NCCC5=CC=CC=C5

InChI

InChI=1S/C25H27N5O/c31-24(26-14-11-19-7-2-1-3-8-19)21-17-20-9-4-5-10-22(20)30-16-15-29(18-23(21)30)25-27-12-6-13-28-25/h1-10,12-13,21,23H,11,14-18H2,(H,26,31)