1-[5-[3-(2-methoxyphenyl)piperazin-1-yl]azepan-3-yl]butan-1-one

Systemtic Name: 1-[5-[3-(2-methoxyphenyl)piperazin-1-yl]azepan-3-yl]butan-1-one Openeye Name: 1-[5-[3-(2-methoxyphenyl)piperazin-1-yl]azepan-3-yl]butan-1-one CAS Name: 1-[5-[3-(2-methoxyphenyl)-1-piperazinyl]-3-azepanyl]-1-butanone IUPAC Name: 1-[5-[3-(2-methoxyphenyl)piperazin-1-yl]azepan-3-yl]butan-1-one Traditional Name: 1-[5-[3-(2-methoxyphenyl)piperazino]azepan-3-yl]butan-1-one Formula: C21H33N3O2 MolecularWeight: 359.50562

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1CC(CCNC1)N2CCNC(C2)C3=CC=CC=C3OC

Isomeric SMILES

CCCC(=O)C1CC(CCNC1)N2CCNC(C2)C3=CC=CC=C3OC

InChI

InChI=1S/C21H33N3O2/c1-3-6-20(25)16-13-17(9-10-22-14-16)24-12-11-23-19(15-24)18-7-4-5-8-21(18)26-2/h4-5,7-8,16-17,19,22-23H,3,6,9-15H2,1-2H3