[7-chloranyl-5-(cyclopropylmethoxy)-5-(trifluoromethyl)-1,3-benzodiazepin-2-yl]cyanamide

Systemtic Name: [7-chloranyl-5-(cyclopropylmethoxy)-5-(trifluoromethyl)-1,3-benzodiazepin-2-yl]cyanamide Openeye Name: [7-chloro-5-(cyclopropylmethoxy)-5-(trifluoromethyl)-1,3-benzodiazepin-2-yl]cyanamide CAS Name: [7-chloro-5-(cyclopropylmethoxy)-5-(trifluoromethyl)-1,3-benzodiazepin-2-yl]cyanamide IUPAC Name: [7-chloro-5-(cyclopropylmethoxy)-5-(trifluoromethyl)-1,3-benzodiazepin-2-yl]cyanamide Traditional Name: [7-chloro-5-(cyclopropylmethoxy)-5-(trifluoromethyl)-1,3-benzodiazepin-2-yl]cyanamide Formula: C15H12ClF3N4O MolecularWeight: 356.73019

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1COC2(C=NC(=NC3=C2C=C(C=C3)Cl)NC#N)C(F)(F)F

Isomeric SMILES

C1CC1COC2(C=NC(=NC3=C2C=C(C=C3)Cl)NC#N)C(F)(F)F

InChI

InChI=1S/C15H12ClF3N4O/c16-10-3-4-12-11(5-10)14(15(17,18)19,24-6-9-1-2-9)7-21-13(23-12)22-8-20/h3-5,7,9H,1-2,6H2,(H,22,23)