6-(cyclohexylmethyl)-N-(4-ethanoylphenyl)-8-[2-(3-fluorophenyl)ethyl]-4,7-bis(oxidanylidene)-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-1-carboxamide

Systemtic Name: 6-(cyclohexylmethyl)-N-(4-ethanoylphenyl)-8-[2-(3-fluorophenyl)ethyl]-4,7-bis(oxidanylidene)-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-1-carboxamide Openeye Name: N-(4-acetylphenyl)-6-(cyclohexylmethyl)-8-[2-(3-fluorophenyl)ethyl]-4,7-dioxo-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-1-carboxamide CAS Name: N-(4-acetylphenyl)-6-(cyclohexylmethyl)-8-[2-(3-fluorophenyl)ethyl]-4,7-dioxo-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-1-carboxamide IUPAC Name: N-(4-acetylphenyl)-6-(cyclohexylmethyl)-8-[2-(3-fluorophenyl)ethyl]-4,7-dioxo-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-1-carboxamide Traditional Name: N-(4-acetylphenyl)-6-(cyclohexylmethyl)-8-[2-(3-fluorophenyl)ethyl]-4,7-diketo-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-1-carboxamide Formula: C31H37FN4O4 MolecularWeight: 548.648283

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)NC(=O)N2CCC(=O)N3C2CN(C(=O)C3CC4CCCCC4)CCC5=CC(=CC=C5)F

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)NC(=O)N2CCC(=O)N3C2CN(C(=O)C3CC4CCCCC4)CCC5=CC(=CC=C5)F

InChI

InChI=1S/C31H37FN4O4/c1-21(37)24-10-12-26(13-11-24)33-31(40)35-17-15-29(38)36-27(19-22-6-3-2-4-7-22)30(39)34(20-28(35)36)16-14-23-8-5-9-25(32)18-23/h5,8-13,18,22,27-28H,2-4,6-7,14-17,19-20H2,1H3,(H,33,40)