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

Systemtic Name: N-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-1-pyridin-4-yl-methanamine Openeye Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-1-(4-pyridyl)methanamine CAS Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-1-pyridin-4-ylmethanamine IUPAC Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-1-pyridin-4-ylmethanamine Traditional Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl-(4-pyridylmethyl)amine Formula: C16H17ClN2O2 MolecularWeight: 304.77138

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)CNCC3=CC=NC=C3)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)CNCC3=CC=NC=C3)Cl)OC1

InChI

InChI=1S/C16H17ClN2O2/c17-14-8-13(9-15-16(14)21-7-1-6-20-15)11-19-10-12-2-4-18-5-3-12/h2-5,8-9,19H,1,6-7,10-11H2