N-[[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazol-4-yl]methyl]-1-(4-methoxyphenyl)methanamine

Systemtic Name: N-[[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazol-4-yl]methyl]-1-(4-methoxyphenyl)methanamine Openeye Name: N-[[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazol-4-yl]methyl]-1-(4-methoxyphenyl)methanamine CAS Name: N-[[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-4-pyrazolyl]methyl]-1-(4-methoxyphenyl)methanamine IUPAC Name: N-[[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methylpyrazol-4-yl]methyl]-1-(4-methoxyphenyl)methanamine Traditional Name: [3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazol-4-yl]methyl-p-anisyl-amine Formula: C22H25N3O3 MolecularWeight: 379.4522

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=CC3=C(C=C2)OCCCO3)CNCC4=CC=C(C=C4)OC

Isomeric SMILES

CN1C=C(C(=N1)C2=CC3=C(C=C2)OCCCO3)CNCC4=CC=C(C=C4)OC

InChI

InChI=1S/C22H25N3O3/c1-25-15-18(14-23-13-16-4-7-19(26-2)8-5-16)22(24-25)17-6-9-20-21(12-17)28-11-3-10-27-20/h4-9,12,15,23H,3,10-11,13-14H2,1-2H3