N-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl)-3-imidazol-1-yl-propan-1-amine

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl)-3-imidazol-1-yl-propan-1-amine Openeye Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl)-3-imidazol-1-yl-propan-1-amine CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl)-3-(1-imidazolyl)-1-propanamine IUPAC Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl)-3-imidazol-1-ylpropan-1-amine Traditional Name: 3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl(3-imidazol-1-ylpropyl)amine Formula: C16H21N3O2 MolecularWeight: 287.35684

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=CC=CC(=C2OC1)CNCCCN3C=CN=C3

Isomeric SMILES

C1COC2=CC=CC(=C2OC1)CNCCCN3C=CN=C3

InChI

InChI=1S/C16H21N3O2/c1-4-14(16-15(5-1)20-10-3-11-21-16)12-17-6-2-8-19-9-7-18-13-19/h1,4-5,7,9,13,17H,2-3,6,8,10-12H2