N-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl)-1-pyridin-3-yl-methanamine

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl)-1-pyridin-3-yl-methanamine Openeye Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl)-1-(3-pyridyl)methanamine CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl)-1-(3-pyridinyl)methanamine IUPAC Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl)-1-pyridin-3-ylmethanamine Traditional Name: 3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl(3-pyridylmethyl)amine Formula: C16H18N2O2 MolecularWeight: 270.32632

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=CC=CC(=C2OC1)CNCC3=CN=CC=C3

Isomeric SMILES

C1COC2=CC=CC(=C2OC1)CNCC3=CN=CC=C3

InChI

InChI=1S/C16H18N2O2/c1-5-14(12-18-11-13-4-2-7-17-10-13)16-15(6-1)19-8-3-9-20-16/h1-2,4-7,10,18H,3,8-9,11-12H2