N'-[(2Z)-2-[[(3-chloranyl-4-fluoranyl-phenyl)methylamino]-oxidanyl-methylidene]-8-cyclopropyl-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)-2-[[(3-chloranyl-4-fluoranyl-phenyl)methylamino]-oxidanyl-methylidene]-8-cyclopropyl-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)-2-[[(3-chloro-4-fluoro-phenyl)methylamino]-hydroxy-methylene]-8-cyclopropyl-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)-2-[[(3-chloro-4-fluorophenyl)methylamino]-hydroxymethylidene]-8-cyclopropyl-3,4-dioxo-6,7,9,10-tetrahydropyrimido[1,2-d][1,4]diazepin-10-yl]-N,N,N'-trimethyloxamide IUPAC Name: N'-[(2Z)-2-[[(3-chloro-4-fluorophenyl)methylamino]-hydroxymethylidene]-8-cyclopropyl-3,4-dioxo-6,7,9,10-tetrahydropyrimido[1,2-d][1,4]diazepin-10-yl]-N,N,N'-trimethyloxamide Traditional Name: N'-[(2Z)-2-[[(3-chloro-4-fluoro-benzyl)amino]-hydroxy-methylene]-8-cyclopropyl-3,4-diketo-6,7,9,10-tetrahydropyrimido[1,2-d][1,4]diazepin-10-yl]-N,N,N'-trimethyl-oxamide Formula: C24H28ClFN6O5 MolecularWeight: 534.967723

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C(=O)N(C)C1CN(CCN2C1=NC(=C(NCC3=CC(=C(C=C3)F)Cl)O)C(=O)C2=O)C4CC4

Isomeric SMILES

CN(C)C(=O)C(=O)N(C)C1CN(CCN2C1=N/C(=C(/NCC3=CC(=C(C=C3)F)Cl)\O)/C(=O)C2=O)C4CC4

InChI

InChI=1S/C24H28ClFN6O5/c1-29(2)23(36)24(37)30(3)17-12-31(14-5-6-14)8-9-32-20(17)28-18(19(33)22(32)35)21(34)27-11-13-4-7-16(26)15(25)10-13/h4,7,10,14,17,27,34H,5-6,8-9,11-12H2,1-3H3/b21-18-