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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17ClN2O2/c17-14-7-13(8-15-16(14)21-6-2-5-20-15)11-19-10-12-3-1-4-18-9-12/h1,3-4,7-9,19H,2,5-6,10-11H2