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

Systemtic Name: 8-nitro-N-prop-2-enyl-3-pyridin-2-yl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-carboxamide Openeye Name: N-allyl-8-nitro-3-(2-pyridyl)-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-carboxamide CAS Name: 8-nitro-N-prop-2-enyl-3-(2-pyridinyl)-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-carboxamide IUPAC Name: 8-nitro-N-prop-2-enyl-3-pyridin-2-yl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-carboxamide Traditional Name: N-allyl-8-nitro-3-(2-pyridyl)-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-carboxamide Formula: C21H23N5O3 MolecularWeight: 393.43902

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N5O3/c1-2-8-23-21(27)17-13-15-12-16(26(28)29)6-7-18(15)25-11-10-24(14-19(17)25)20-5-3-4-9-22-20/h2-7,9,12,17,19H,1,8,10-11,13-14H2,(H,23,27)