4-(benzotriazol-1-ylmethyl)-7-chloranyl-5-(trifluoromethyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one

Systemtic Name: 4-(benzotriazol-1-ylmethyl)-7-chloranyl-5-(trifluoromethyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one Openeye Name: 4-(benzotriazol-1-ylmethyl)-7-chloro-5-(trifluoromethyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one CAS Name: 4-(1-benzotriazolylmethyl)-7-chloro-5-(trifluoromethyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one IUPAC Name: 4-(benzotriazol-1-ylmethyl)-7-chloro-5-(trifluoromethyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one Traditional Name: 4-(benzotriazol-1-ylmethyl)-7-chloro-5-(trifluoromethyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one Formula: C17H13ClF3N5O MolecularWeight: 395.76623

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NC2=C(C=C(C=C2)Cl)C(N1CN3C4=CC=CC=C4N=N3)C(F)(F)F

Isomeric SMILES

C1C(=O)NC2=C(C=C(C=C2)Cl)C(N1CN3C4=CC=CC=C4N=N3)C(F)(F)F

InChI

InChI=1S/C17H13ClF3N5O/c18-10-5-6-12-11(7-10)16(17(19,20)21)25(8-15(27)22-12)9-26-14-4-2-1-3-13(14)23-24-26/h1-7,16H,8-9H2,(H,22,27)