7-chloranyl-5-[2-(1-methylcyclopropyl)ethynyl]-5-(trifluoromethyl)-1H-1,3-benzodiazepin-2-one

Systemtic Name: 7-chloranyl-5-[2-(1-methylcyclopropyl)ethynyl]-5-(trifluoromethyl)-1H-1,3-benzodiazepin-2-one Openeye Name: 7-chloro-5-[2-(1-methylcyclopropyl)ethynyl]-5-(trifluoromethyl)-1H-1,3-benzodiazepin-2-one CAS Name: 7-chloro-5-[2-(1-methylcyclopropyl)ethynyl]-5-(trifluoromethyl)-1H-1,3-benzodiazepin-2-one IUPAC Name: 7-chloro-5-[2-(1-methylcyclopropyl)ethynyl]-5-(trifluoromethyl)-1H-1,3-benzodiazepin-2-one Traditional Name: 7-chloro-5-[2-(1-methylcyclopropyl)ethynyl]-5-(trifluoromethyl)-1H-1,3-benzodiazepin-2-one Formula: C16H12ClF3N2O MolecularWeight: 340.72749

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC1)C#CC2(C=NC(=O)NC3=C2C=C(C=C3)Cl)C(F)(F)F

Isomeric SMILES

CC1(CC1)C#CC2(C=NC(=O)NC3=C2C=C(C=C3)Cl)C(F)(F)F

InChI

InChI=1S/C16H12ClF3N2O/c1-14(4-5-14)6-7-15(16(18,19)20)9-21-13(23)22-12-3-2-10(17)8-11(12)15/h2-3,8-9H,4-5H2,1H3,(H,22,23)