1-(4-methyl-1,4-diazepan-1-yl)-2-[4-(2-phenylpropan-2-yl)phenoxy]butan-1-one

Systemtic Name: 1-(4-methyl-1,4-diazepan-1-yl)-2-[4-(2-phenylpropan-2-yl)phenoxy]butan-1-one Openeye Name: 1-(4-methyl-1,4-diazepan-1-yl)-2-[4-(1-methyl-1-phenyl-ethyl)phenoxy]butan-1-one CAS Name: 1-(4-methyl-1,4-diazepan-1-yl)-2-[4-(2-phenylpropan-2-yl)phenoxy]-1-butanone IUPAC Name: 1-(4-methyl-1,4-diazepan-1-yl)-2-[4-(2-phenylpropan-2-yl)phenoxy]butan-1-one Traditional Name: 2-(4-cumylphenoxy)-1-(4-methyl-1,4-diazepan-1-yl)butan-1-one Formula: C25H34N2O2 MolecularWeight: 394.54966

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N1CCCN(CC1)C)OC2=CC=C(C=C2)C(C)(C)C3=CC=CC=C3

Isomeric SMILES

CCC(C(=O)N1CCCN(CC1)C)OC2=CC=C(C=C2)C(C)(C)C3=CC=CC=C3

InChI

InChI=1S/C25H34N2O2/c1-5-23(24(28)27-17-9-16-26(4)18-19-27)29-22-14-12-21(13-15-22)25(2,3)20-10-7-6-8-11-20/h6-8,10-15,23H,5,9,16-19H2,1-4H3