N-(1-chloranyl-2,2-dimethoxy-ethyl)-11H-benzo[b][1,4]benzodiazepin-6-amine

Systemtic Name: N-(1-chloranyl-2,2-dimethoxy-ethyl)-11H-benzo[b][1,4]benzodiazepin-6-amine Openeye Name: N-(1-chloro-2,2-dimethoxy-ethyl)-11H-benzo[b][1,4]benzodiazepin-6-amine CAS Name: N-(1-chloro-2,2-dimethoxyethyl)-11H-benzo[b][1,4]benzodiazepin-6-amine IUPAC Name: N-(1-chloro-2,2-dimethoxyethyl)-11H-benzo[b][1,4]benzodiazepin-6-amine Traditional Name: 11H-benzo[b][1,4]benzodiazepin-6-yl-(1-chloro-2,2-dimethoxy-ethyl)amine Formula: C17H18ClN3O2 MolecularWeight: 331.79672

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Descriptors Computed from Structure

Canonical SMILES:

COC(C(NC1=NC2=CC=CC=C2NC3=CC=CC=C31)Cl)OC

Isomeric SMILES

COC(C(NC1=NC2=CC=CC=C2NC3=CC=CC=C31)Cl)OC

InChI

InChI=1S/C17H18ClN3O2/c1-22-17(23-2)15(18)21-16-11-7-3-4-8-12(11)19-13-9-5-6-10-14(13)20-16/h3-10,15,17,19H,1-2H3,(H,20,21)