(6S,9aS)-8-(1,3-benzodioxol-5-ylmethyl)-2-methyl-6-(2-methylpropyl)-4,7-bis(oxidanylidene)-N-(phenylmethyl)-3,6,9,9a-tetrahydropyrazino[2,1-c][1,2,4]triazine-1-carboxamide

Systemtic Name: (6S,9aS)-8-(1,3-benzodioxol-5-ylmethyl)-2-methyl-6-(2-methylpropyl)-4,7-bis(oxidanylidene)-N-(phenylmethyl)-3,6,9,9a-tetrahydropyrazino[2,1-c][1,2,4]triazine-1-carboxamide Openeye Name: (6S,9aS)-8-(1,3-benzodioxol-5-ylmethyl)-N-benzyl-6-isobutyl-2-methyl-4,7-dioxo-3,6,9,9a-tetrahydropyrazino[2,1-c][1,2,4]triazine-1-carboxamide CAS Name: (6S,9aS)-8-(1,3-benzodioxol-5-ylmethyl)-2-methyl-6-(2-methylpropyl)-4,7-dioxo-N-(phenylmethyl)-3,6,9,9a-tetrahydropyrazino[2,1-c][1,2,4]triazine-1-carboxamide IUPAC Name: (6S,9aS)-8-(1,3-benzodioxol-5-ylmethyl)-N-benzyl-2-methyl-6-(2-methylpropyl)-4,7-dioxo-3,6,9,9a-tetrahydropyrazino[2,1-c][1,2,4]triazine-1-carboxamide Traditional Name: (6S,9aS)-N-benzyl-6-isobutyl-4,7-diketo-2-methyl-8-piperonyl-3,6,9,9a-tetrahydropyrazino[2,1-c][1,2,4]triazine-1-carboxamide Formula: C27H33N5O5 MolecularWeight: 507.58142

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1C(=O)N(CC2N1C(=O)CN(N2C(=O)NCC3=CC=CC=C3)C)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC(C)C[C@H]1C(=O)N(C[C@H]2N1C(=O)CN(N2C(=O)NCC3=CC=CC=C3)C)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C27H33N5O5/c1-18(2)11-21-26(34)30(14-20-9-10-22-23(12-20)37-17-36-22)15-24-31(21)25(33)16-29(3)32(24)27(35)28-13-19-7-5-4-6-8-19/h4-10,12,18,21,24H,11,13-17H2,1-3H3,(H,28,35)/t21-,24-/m0/s1