N-[(3-methoxybenzo[b][1]benzoxepin-5-yl)methyl]-N-methyl-prop-2-yn-1-amine hydrochloride

Systemtic Name: N-[(3-methoxybenzo[b][1]benzoxepin-5-yl)methyl]-N-methyl-prop-2-yn-1-amine hydrochloride Openeye Name: N-[(3-methoxybenzo[b][1]benzoxepin-5-yl)methyl]-N-methyl-prop-2-yn-1-amine hydrochloride CAS Name: N-[(3-methoxy-5-benzo[b][1]benzoxepinyl)methyl]-N-methyl-2-propyn-1-amine hydrochloride IUPAC Name: N-[(3-methoxybenzo[b][1]benzoxepin-5-yl)methyl]-N-methylprop-2-yn-1-amine hydrochloride Traditional Name: (3-methoxybenzo[b][1]benzoxepin-5-yl)methyl-methyl-propargyl-amine hydrochloride Formula: C20H20ClNO2 MolecularWeight: 341.8313

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC#C)CC1=CC2=CC=CC=C2OC3=C1C=C(C=C3)OC.Cl

Isomeric SMILES

CN(CC#C)CC1=CC2=CC=CC=C2OC3=C1C=C(C=C3)OC.Cl

InChI

InChI=1S/C20H19NO2.ClH/c1-4-11-21(2)14-16-12-15-7-5-6-8-19(15)23-20-10-9-17(22-3)13-18(16)20;/h1,5-10,12-13H,11,14H2,2-3H3;1H