1-(azepan-1-yl)-2-[4-[3-[(3-methylphenyl)methoxy]phenyl]carbonylpiperazin-1-yl]ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[4-[3-[(3-methylphenyl)methoxy]phenyl]carbonylpiperazin-1-yl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[4-[3-(m-tolylmethoxy)benzoyl]piperazin-1-yl]ethanone CAS Name: 1-(1-azepanyl)-2-[4-[[3-[(3-methylphenyl)methoxy]phenyl]-oxomethyl]-1-piperazinyl]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[4-[3-[(3-methylphenyl)methoxy]benzoyl]piperazin-1-yl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[4-[3-(3-methylbenzyl)oxybenzoyl]piperazino]ethanone Formula: C27H35N3O3 MolecularWeight: 449.5851

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)COC2=CC=CC(=C2)C(=O)N3CCN(CC3)CC(=O)N4CCCCCC4

Isomeric SMILES

CC1=CC(=CC=C1)COC2=CC=CC(=C2)C(=O)N3CCN(CC3)CC(=O)N4CCCCCC4

InChI

InChI=1S/C27H35N3O3/c1-22-8-6-9-23(18-22)21-33-25-11-7-10-24(19-25)27(32)30-16-14-28(15-17-30)20-26(31)29-12-4-2-3-5-13-29/h6-11,18-19H,2-5,12-17,20-21H2,1H3