7-fluoranyl-5-phenyl-4-(3,4,5-triethoxyphenyl)carbonyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one

Systemtic Name: 7-fluoranyl-5-phenyl-4-(3,4,5-triethoxyphenyl)carbonyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one Openeye Name: 7-fluoro-5-phenyl-4-(3,4,5-triethoxybenzoyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one CAS Name: 7-fluoro-4-[oxo-(3,4,5-triethoxyphenyl)methyl]-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one IUPAC Name: 7-fluoro-5-phenyl-4-(3,4,5-triethoxybenzoyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one Traditional Name: 7-fluoro-5-phenyl-4-(3,4,5-triethoxybenzoyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one Formula: C28H29FN2O5 MolecularWeight: 492.538663

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)N2CC(=O)NC3=C(C2C4=CC=CC=C4)C=C(C=C3)F

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)N2CC(=O)NC3=C(C2C4=CC=CC=C4)C=C(C=C3)F

InChI

InChI=1S/C28H29FN2O5/c1-4-34-23-14-19(15-24(35-5-2)27(23)36-6-3)28(33)31-17-25(32)30-22-13-12-20(29)16-21(22)26(31)18-10-8-7-9-11-18/h7-16,26H,4-6,17H2,1-3H3,(H,30,32)