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

Systemtic Name: N-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-1-ethyl-pyrazol-4-amine Openeye Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-1-ethyl-pyrazol-4-amine CAS Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-1-ethyl-4-pyrazolamine IUPAC Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-1-ethylpyrazol-4-amine Traditional Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl-(1-ethylpyrazol-4-yl)amine Formula: C15H18ClN3O2 MolecularWeight: 307.77532

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C=N1)NCC2=CC3=C(C(=C2)Cl)OCCCO3

Isomeric SMILES

CCN1C=C(C=N1)NCC2=CC3=C(C(=C2)Cl)OCCCO3

InChI

InChI=1S/C15H18ClN3O2/c1-2-19-10-12(9-18-19)17-8-11-6-13(16)15-14(7-11)20-4-3-5-21-15/h6-7,9-10,17H,2-5,8H2,1H3