2-(3,4-dimethylphenoxy)-1-[4-(diphenylmethyl)piperazin-1-yl]butan-1-one

Systemtic Name: 2-(3,4-dimethylphenoxy)-1-[4-(diphenylmethyl)piperazin-1-yl]butan-1-one Openeye Name: 1-(4-benzhydrylpiperazin-1-yl)-2-(3,4-dimethylphenoxy)butan-1-one CAS Name: 2-(3,4-dimethylphenoxy)-1-[4-(diphenylmethyl)-1-piperazinyl]-1-butanone IUPAC Name: 1-(4-benzhydrylpiperazin-1-yl)-2-(3,4-dimethylphenoxy)butan-1-one Traditional Name: 1-(4-benzhydrylpiperazino)-2-(3,4-dimethylphenoxy)butan-1-one Formula: C29H34N2O2 MolecularWeight: 442.59246

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N1CCN(CC1)C(C2=CC=CC=C2)C3=CC=CC=C3)OC4=CC(=C(C=C4)C)C

Isomeric SMILES

CCC(C(=O)N1CCN(CC1)C(C2=CC=CC=C2)C3=CC=CC=C3)OC4=CC(=C(C=C4)C)C

InChI

InChI=1S/C29H34N2O2/c1-4-27(33-26-16-15-22(2)23(3)21-26)29(32)31-19-17-30(18-20-31)28(24-11-7-5-8-12-24)25-13-9-6-10-14-25/h5-16,21,27-28H,4,17-20H2,1-3H3