4-[2,4-bis(2-methylbutan-2-yl)phenoxy]-1-(4-phenylpiperazin-1-yl)butan-1-one

Systemtic Name: 4-[2,4-bis(2-methylbutan-2-yl)phenoxy]-1-(4-phenylpiperazin-1-yl)butan-1-one Openeye Name: 4-[2,4-bis(1,1-dimethylpropyl)phenoxy]-1-(4-phenylpiperazin-1-yl)butan-1-one CAS Name: 4-[2,4-bis(2-methylbutan-2-yl)phenoxy]-1-(4-phenyl-1-piperazinyl)-1-butanone IUPAC Name: 4-[2,4-bis(2-methylbutan-2-yl)phenoxy]-1-(4-phenylpiperazin-1-yl)butan-1-one Traditional Name: 4-(2,4-ditert-amylphenoxy)-1-(4-phenylpiperazino)butan-1-one Formula: C30H44N2O2 MolecularWeight: 464.68256

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC(=C(C=C1)OCCCC(=O)N2CCN(CC2)C3=CC=CC=C3)C(C)(C)CC

Isomeric SMILES

CCC(C)(C)C1=CC(=C(C=C1)OCCCC(=O)N2CCN(CC2)C3=CC=CC=C3)C(C)(C)CC

InChI

InChI=1S/C30H44N2O2/c1-7-29(3,4)24-16-17-27(26(23-24)30(5,6)8-2)34-22-12-15-28(33)32-20-18-31(19-21-32)25-13-10-9-11-14-25/h9-11,13-14,16-17,23H,7-8,12,15,18-22H2,1-6H3