N'-[(2Z)-8-ethanoyl-2-[[(4-fluorophenyl)methylamino]-oxidanyl-methylidene]-3,4-bis(oxidanylidene)-6,7,9,10-tetrahydropyrimido[1,2-d][1,4]diazepin-10-yl]-N,N,N'-trimethyl-ethanediamide

Systemtic Name: N'-[(2Z)-8-ethanoyl-2-[[(4-fluorophenyl)methylamino]-oxidanyl-methylidene]-3,4-bis(oxidanylidene)-6,7,9,10-tetrahydropyrimido[1,2-d][1,4]diazepin-10-yl]-N,N,N'-trimethyl-ethanediamide Openeye Name: N'-[(2Z)-8-acetyl-2-[[(4-fluorophenyl)methylamino]-hydroxy-methylene]-3,4-dioxo-6,7,9,10-tetrahydropyrimido[1,2-d][1,4]diazepin-10-yl]-N,N,N'-trimethyl-oxamide CAS Name: N'-[(2Z)-8-acetyl-2-[[(4-fluorophenyl)methylamino]-hydroxymethylidene]-3,4-dioxo-6,7,9,10-tetrahydropyrimido[1,2-d][1,4]diazepin-10-yl]-N,N,N'-trimethyloxamide IUPAC Name: N'-[(2Z)-8-acetyl-2-[[(4-fluorophenyl)methylamino]-hydroxymethylidene]-3,4-dioxo-6,7,9,10-tetrahydropyrimido[1,2-d][1,4]diazepin-10-yl]-N,N,N'-trimethyloxamide Traditional Name: N'-[(2Z)-8-acetyl-2-[[(4-fluorobenzyl)amino]-hydroxy-methylene]-3,4-diketo-6,7,9,10-tetrahydropyrimido[1,2-d][1,4]diazepin-10-yl]-N,N,N'-trimethyl-oxamide Formula: C23H27FN6O6 MolecularWeight: 502.495483

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN2C(=NC(=C(NCC3=CC=C(C=C3)F)O)C(=O)C2=O)C(C1)N(C)C(=O)C(=O)N(C)C

Isomeric SMILES

CC(=O)N1CCN2C(=N/C(=C(/NCC3=CC=C(C=C3)F)\O)/C(=O)C2=O)C(C1)N(C)C(=O)C(=O)N(C)C

InChI

InChI=1S/C23H27FN6O6/c1-13(31)29-9-10-30-19(16(12-29)28(4)23(36)22(35)27(2)3)26-17(18(32)21(30)34)20(33)25-11-14-5-7-15(24)8-6-14/h5-8,16,25,33H,9-12H2,1-4H3/b20-17-