3-[(1-prop-2-ynylpiperidin-4-yl)amino]azepan-2-one

Systemtic Name: 3-[(1-prop-2-ynylpiperidin-4-yl)amino]azepan-2-one Openeye Name: 3-[(1-prop-2-ynyl-4-piperidyl)amino]azepan-2-one CAS Name: 3-[(1-prop-2-ynyl-4-piperidinyl)amino]-2-azepanone IUPAC Name: 3-[(1-prop-2-ynylpiperidin-4-yl)amino]azepan-2-one Traditional Name: 3-[(1-propargyl-4-piperidyl)amino]azepan-2-one Formula: C14H23N3O MolecularWeight: 249.35192

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN1CCC(CC1)NC2CCCCNC2=O

Isomeric SMILES

C#CCN1CCC(CC1)NC2CCCCNC2=O

InChI

InChI=1S/C14H23N3O/c1-2-9-17-10-6-12(7-11-17)16-13-5-3-4-8-15-14(13)18/h1,12-13,16H,3-11H2,(H,15,18)