N-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-1-ethyl-benzotriazole-5-carboxamide

Systemtic Name: N-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-1-ethyl-benzotriazole-5-carboxamide Openeye Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-1-ethyl-benzotriazole-5-carboxamide CAS Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-1-ethyl-5-benzotriazolecarboxamide IUPAC Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-1-ethylbenzotriazole-5-carboxamide Traditional Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-1-ethyl-benzotriazole-5-carboxamide Formula: C19H19ClN4O3 MolecularWeight: 386.83216

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)NCC3=CC4=C(C(=C3)Cl)OCCCO4)N=N1

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)NCC3=CC4=C(C(=C3)Cl)OCCCO4)N=N1

InChI

InChI=1S/C19H19ClN4O3/c1-2-24-16-5-4-13(10-15(16)22-23-24)19(25)21-11-12-8-14(20)18-17(9-12)26-6-3-7-27-18/h4-5,8-10H,2-3,6-7,11H2,1H3,(H,21,25)