7-chloranyl-N-methyl-4-oxidanyl-5-(2,3,4,5,6-pentadeuteriophenyl)-3H-1,4-benzodiazepin-2-imine

Systemtic Name: 7-chloranyl-N-methyl-4-oxidanyl-5-(2,3,4,5,6-pentadeuteriophenyl)-3H-1,4-benzodiazepin-2-imine Openeye Name: 7-chloro-4-hydroxy-N-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-3H-1,4-benzodiazepin-2-imine CAS Name: 7-chloro-4-hydroxy-N-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-3H-1,4-benzodiazepin-2-imine IUPAC Name: 7-chloro-4-hydroxy-N-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-3H-1,4-benzodiazepin-2-imine Traditional Name: [7-chloro-4-hydroxy-5-(2,3,4,5,6-pentadeuteriophenyl)-3H-1,4-benzodiazepin-2-ylidene]-methyl-amine Formula: C16H14ClN3O MolecularWeight: 304.785669

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Descriptors Computed from Structure

Canonical SMILES:

CN=C1CN(C(=C2C=C(C=CC2=N1)Cl)C3=CC=CC=C3)O

Isomeric SMILES

[2H]C1=C(C(=C(C(=C1[2H])[2H])C2=C3C=C(C=CC3=NC(=NC)CN2O)Cl)[2H])[2H]

InChI

InChI=1S/C16H14ClN3O/c1-18-15-10-20(21)16(11-5-3-2-4-6-11)13-9-12(17)7-8-14(13)19-15/h2-9,21H,10H2,1H3/i2D,3D,4D,5D,6D