5-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-1-prop-2-ynyl-azepan-2-one

Systemtic Name: 5-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-1-prop-2-ynyl-azepan-2-one Openeye Name: 5-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-1-prop-2-ynyl-azepan-2-one CAS Name: 5-[4-[(3-methoxyphenyl)methyl]-1-piperazinyl]-1-prop-2-ynyl-2-azepanone IUPAC Name: 5-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-1-prop-2-ynylazepan-2-one Traditional Name: 5-(4-m-anisylpiperazino)-1-propargyl-azepan-2-one Formula: C21H29N3O2 MolecularWeight: 355.47386

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CN2CCN(CC2)C3CCC(=O)N(CC3)CC#C

Isomeric SMILES

COC1=CC=CC(=C1)CN2CCN(CC2)C3CCC(=O)N(CC3)CC#C

InChI

InChI=1S/C21H29N3O2/c1-3-10-24-11-9-19(7-8-21(24)25)23-14-12-22(13-15-23)17-18-5-4-6-20(16-18)26-2/h1,4-6,16,19H,7-15,17H2,2H3