1-[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]-4-phenoxy-butan-1-one

Systemtic Name: 1-[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]-4-phenoxy-butan-1-one Openeye Name: 1-[4-[2-(azepan-1-yl)-2-oxo-ethyl]piperazin-1-yl]-4-phenoxy-butan-1-one CAS Name: 1-[4-[2-(1-azepanyl)-2-oxoethyl]-1-piperazinyl]-4-phenoxy-1-butanone IUPAC Name: 1-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-4-phenoxybutan-1-one Traditional Name: 1-[4-[2-(azepan-1-yl)-2-keto-ethyl]piperazino]-4-phenoxy-butan-1-one Formula: C22H33N3O3 MolecularWeight: 387.51572

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CN2CCN(CC2)C(=O)CCCOC3=CC=CC=C3

Isomeric SMILES

C1CCCN(CC1)C(=O)CN2CCN(CC2)C(=O)CCCOC3=CC=CC=C3

InChI

InChI=1S/C22H33N3O3/c26-21(11-8-18-28-20-9-4-3-5-10-20)25-16-14-23(15-17-25)19-22(27)24-12-6-1-2-7-13-24/h3-5,9-10H,1-2,6-8,11-19H2