4-(2-ethoxyphenyl)carbonyl-7-fluoranyl-5-thiophen-2-yl-3,5-dihydro-1H-1,4-benzodiazepin-2-one

Systemtic Name: 4-(2-ethoxyphenyl)carbonyl-7-fluoranyl-5-thiophen-2-yl-3,5-dihydro-1H-1,4-benzodiazepin-2-one Openeye Name: 4-(2-ethoxybenzoyl)-7-fluoro-5-(2-thienyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one CAS Name: 4-[(2-ethoxyphenyl)-oxomethyl]-7-fluoro-5-thiophen-2-yl-3,5-dihydro-1H-1,4-benzodiazepin-2-one IUPAC Name: 4-(2-ethoxybenzoyl)-7-fluoro-5-thiophen-2-yl-3,5-dihydro-1H-1,4-benzodiazepin-2-one Traditional Name: 4-(2-ethoxybenzoyl)-7-fluoro-5-(2-thienyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one Formula: C22H19FN2O3S MolecularWeight: 410.461263

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C(=O)N2CC(=O)NC3=C(C2C4=CC=CS4)C=C(C=C3)F

Isomeric SMILES

CCOC1=CC=CC=C1C(=O)N2CC(=O)NC3=C(C2C4=CC=CS4)C=C(C=C3)F

InChI

InChI=1S/C22H19FN2O3S/c1-2-28-18-7-4-3-6-15(18)22(27)25-13-20(26)24-17-10-9-14(23)12-16(17)21(25)19-8-5-11-29-19/h3-12,21H,2,13H2,1H3,(H,24,26)