4-(2-chloranyl-6-fluoranyl-phenyl)carbonyl-7-methyl-5-thiophen-2-yl-3,5-dihydro-1H-1,4-benzodiazepin-2-one

Systemtic Name: 4-(2-chloranyl-6-fluoranyl-phenyl)carbonyl-7-methyl-5-thiophen-2-yl-3,5-dihydro-1H-1,4-benzodiazepin-2-one Openeye Name: 4-(2-chloro-6-fluoro-benzoyl)-7-methyl-5-(2-thienyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one CAS Name: 4-[(2-chloro-6-fluorophenyl)-oxomethyl]-7-methyl-5-thiophen-2-yl-3,5-dihydro-1H-1,4-benzodiazepin-2-one IUPAC Name: 4-(2-chloro-6-fluorobenzoyl)-7-methyl-5-thiophen-2-yl-3,5-dihydro-1H-1,4-benzodiazepin-2-one Traditional Name: 4-(2-chloro-6-fluoro-benzoyl)-7-methyl-5-(2-thienyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one Formula: C21H16ClFN2O2S MolecularWeight: 414.880343

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=O)CN(C2C3=CC=CS3)C(=O)C4=C(C=CC=C4Cl)F

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=O)CN(C2C3=CC=CS3)C(=O)C4=C(C=CC=C4Cl)F

InChI

InChI=1S/C21H16ClFN2O2S/c1-12-7-8-16-13(10-12)20(17-6-3-9-28-17)25(11-18(26)24-16)21(27)19-14(22)4-2-5-15(19)23/h2-10,20H,11H2,1H3,(H,24,26)