1-(7-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-N-methyl-1-pyridin-3-yl-methanamine

Systemtic Name: 1-(7-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-N-methyl-1-pyridin-3-yl-methanamine Openeye Name: 1-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-N-methyl-1-(3-pyridyl)methanamine CAS Name: 1-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-N-methyl-1-(3-pyridinyl)methanamine IUPAC Name: 1-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-N-methyl-1-pyridin-3-ylmethanamine Traditional Name: [(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-(3-pyridyl)methyl]-methyl-amine Formula: C16H17ClN2O2 MolecularWeight: 304.77138

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Descriptors Computed from Structure

Canonical SMILES:

CNC(C1=CN=CC=C1)C2=CC3=C(C=C2Cl)OCCCO3

Isomeric SMILES

CNC(C1=CN=CC=C1)C2=CC3=C(C=C2Cl)OCCCO3

InChI

InChI=1S/C16H17ClN2O2/c1-18-16(11-4-2-5-19-10-11)12-8-14-15(9-13(12)17)21-7-3-6-20-14/h2,4-5,8-10,16,18H,3,6-7H2,1H3