3-[(2-prop-2-ynoxyphenyl)methylamino]azepan-2-one

Systemtic Name: 3-[(2-prop-2-ynoxyphenyl)methylamino]azepan-2-one Openeye Name: 3-[(2-prop-2-ynoxyphenyl)methylamino]azepan-2-one CAS Name: 3-[(2-prop-2-ynoxyphenyl)methylamino]-2-azepanone IUPAC Name: 3-[(2-prop-2-ynoxyphenyl)methylamino]azepan-2-one Traditional Name: 3-[(2-propargyloxybenzyl)amino]azepan-2-one Formula: C16H20N2O2 MolecularWeight: 272.3422

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Descriptors Computed from Structure

Canonical SMILES:

C#CCOC1=CC=CC=C1CNC2CCCCNC2=O

Isomeric SMILES

C#CCOC1=CC=CC=C1CNC2CCCCNC2=O

InChI

InChI=1S/C16H20N2O2/c1-2-11-20-15-9-4-3-7-13(15)12-18-14-8-5-6-10-17-16(14)19/h1,3-4,7,9,14,18H,5-6,8,10-12H2,(H,17,19)