8-nitro-N-prop-2-enyl-3-pyrimidin-2-yl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-carboxamide

Systemtic Name: 8-nitro-N-prop-2-enyl-3-pyrimidin-2-yl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-carboxamide Openeye Name: N-allyl-8-nitro-3-pyrimidin-2-yl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-carboxamide CAS Name: 8-nitro-N-prop-2-enyl-3-(2-pyrimidinyl)-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-carboxamide IUPAC Name: 8-nitro-N-prop-2-enyl-3-pyrimidin-2-yl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-carboxamide Traditional Name: N-allyl-8-nitro-3-(2-pyrimidyl)-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-carboxamide Formula: C20H22N6O3 MolecularWeight: 394.42708

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)C1CC2=C(C=CC(=C2)[N+](=O)[O-])N3C1CN(CC3)C4=NC=CC=N4

Isomeric SMILES

C=CCNC(=O)C1CC2=C(C=CC(=C2)[N+](=O)[O-])N3C1CN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C20H22N6O3/c1-2-6-21-19(27)16-12-14-11-15(26(28)29)4-5-17(14)25-10-9-24(13-18(16)25)20-22-7-3-8-23-20/h2-5,7-8,11,16,18H,1,6,9-10,12-13H2,(H,21,27)