1-(azepan-1-yl)-2-[4-(3-phenylmethoxyphenyl)carbonylpiperazin-1-yl]ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[4-(3-phenylmethoxyphenyl)carbonylpiperazin-1-yl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[4-(3-benzyloxybenzoyl)piperazin-1-yl]ethanone CAS Name: 1-(1-azepanyl)-2-[4-[oxo-(3-phenylmethoxyphenyl)methyl]-1-piperazinyl]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[4-(3-phenylmethoxybenzoyl)piperazin-1-yl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[4-(3-benzoxybenzoyl)piperazino]ethanone Formula: C26H33N3O3 MolecularWeight: 435.55852

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CN2CCN(CC2)C(=O)C3=CC(=CC=C3)OCC4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)C(=O)CN2CCN(CC2)C(=O)C3=CC(=CC=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C26H33N3O3/c30-25(28-13-6-1-2-7-14-28)20-27-15-17-29(18-16-27)26(31)23-11-8-12-24(19-23)32-21-22-9-4-3-5-10-22/h3-5,8-12,19H,1-2,6-7,13-18,20-21H2