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

Systemtic Name: N'-(cyclohexylmethyl)-N'-[(2Z)-2-[[(4-fluorophenyl)methylamino]-oxidanyl-methylidene]-8-methyl-3,4-bis(oxidanylidene)-6,7,9,10-tetrahydropyrimido[1,2-d][1,4]diazepin-10-yl]-N,N-dimethyl-ethanediamide Openeye Name: N'-(cyclohexylmethyl)-N'-[(2Z)-2-[[(4-fluorophenyl)methylamino]-hydroxy-methylene]-8-methyl-3,4-dioxo-6,7,9,10-tetrahydropyrimido[1,2-d][1,4]diazepin-10-yl]-N,N-dimethyl-oxamide CAS Name: N'-(cyclohexylmethyl)-N'-[(2Z)-2-[[(4-fluorophenyl)methylamino]-hydroxymethylidene]-8-methyl-3,4-dioxo-6,7,9,10-tetrahydropyrimido[1,2-d][1,4]diazepin-10-yl]-N,N-dimethyloxamide IUPAC Name: N'-(cyclohexylmethyl)-N'-[(2Z)-2-[[(4-fluorophenyl)methylamino]-hydroxymethylidene]-8-methyl-3,4-dioxo-6,7,9,10-tetrahydropyrimido[1,2-d][1,4]diazepin-10-yl]-N,N-dimethyloxamide Traditional Name: N'-(cyclohexylmethyl)-N'-[(2Z)-2-[[(4-fluorobenzyl)amino]-hydroxy-methylene]-3,4-diketo-8-methyl-6,7,9,10-tetrahydropyrimido[1,2-d][1,4]diazepin-10-yl]-N,N-dimethyl-oxamide Formula: C28H37FN6O5 MolecularWeight: 556.628983

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN2C(=NC(=C(NCC3=CC=C(C=C3)F)O)C(=O)C2=O)C(C1)N(CC4CCCCC4)C(=O)C(=O)N(C)C

Isomeric SMILES

CN1CCN2C(=N/C(=C(/NCC3=CC=C(C=C3)F)\O)/C(=O)C2=O)C(C1)N(CC4CCCCC4)C(=O)C(=O)N(C)C

InChI

InChI=1S/C28H37FN6O5/c1-32(2)27(39)28(40)35(16-19-7-5-4-6-8-19)21-17-33(3)13-14-34-24(21)31-22(23(36)26(34)38)25(37)30-15-18-9-11-20(29)12-10-18/h9-12,19,21,30,37H,4-8,13-17H2,1-3H3/b25-22-