(2E)-2-[[[4-fluoranyl-2-(1,2,4-triazol-1-yl)phenyl]methylamino]-oxidanyl-methylidene]spiro[7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-9,1'-cyclopentane]-3,4-dione

Systemtic Name: (2E)-2-[[[4-fluoranyl-2-(1,2,4-triazol-1-yl)phenyl]methylamino]-oxidanyl-methylidene]spiro[7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-9,1'-cyclopentane]-3,4-dione Openeye Name: (2E)-2-[[[4-fluoro-2-(1,2,4-triazol-1-yl)phenyl]methylamino]-hydroxy-methylene]spiro[7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-9,1'-cyclopentane]-3,4-dione CAS Name: (2E)-2-[[[4-fluoro-2-(1,2,4-triazol-1-yl)phenyl]methylamino]-hydroxymethylidene]spiro[7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-9,1'-cyclopentane]-3,4-dione IUPAC Name: (2E)-2-[[[4-fluoro-2-(1,2,4-triazol-1-yl)phenyl]methylamino]-hydroxymethylidene]spiro[7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-9,1'-cyclopentane]-3,4-dione Traditional Name: (2E)-2-[[[4-fluoro-2-(1,2,4-triazol-1-yl)benzyl]amino]-hydroxy-methylene]spiro[7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-9,1'-cyclopentane]-3,4-quinone Formula: C22H23FN6O3 MolecularWeight: 438.454823

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(C1)CCCN3C2=NC(=C(NCC4=C(C=C(C=C4)F)N5C=NC=N5)O)C(=O)C3=O

Isomeric SMILES

C1CCC2(C1)CCCN3C2=N/C(=C(\NCC4=C(C=C(C=C4)F)N5C=NC=N5)/O)/C(=O)C3=O

InChI

InChI=1S/C22H23FN6O3/c23-15-5-4-14(16(10-15)29-13-24-12-26-29)11-25-19(31)17-18(30)20(32)28-9-3-8-22(21(28)27-17)6-1-2-7-22/h4-5,10,12-13,25,31H,1-3,6-9,11H2/b19-17+