(E)-3-(3,5-ditert-butyl-2-methoxy-phenyl)-1-[2-(4-methylpiperazin-1-yl)-4-oxidanyl-phenyl]prop-2-en-1-one

Systemtic Name: (E)-3-(3,5-ditert-butyl-2-methoxy-phenyl)-1-[2-(4-methylpiperazin-1-yl)-4-oxidanyl-phenyl]prop-2-en-1-one Openeye Name: (E)-3-(3,5-ditert-butyl-2-methoxy-phenyl)-1-[4-hydroxy-2-(4-methylpiperazin-1-yl)phenyl]prop-2-en-1-one CAS Name: (E)-3-(3,5-ditert-butyl-2-methoxyphenyl)-1-[4-hydroxy-2-(4-methyl-1-piperazinyl)phenyl]-2-propen-1-one IUPAC Name: (E)-3-(3,5-ditert-butyl-2-methoxyphenyl)-1-[4-hydroxy-2-(4-methylpiperazin-1-yl)phenyl]prop-2-en-1-one Traditional Name: (E)-3-(3,5-ditert-butyl-2-methoxy-phenyl)-1-[4-hydroxy-2-(4-methylpiperazino)phenyl]prop-2-en-1-one Formula: C29H40N2O3 MolecularWeight: 464.6395

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C(=C1)C=CC(=O)C2=C(C=C(C=C2)O)N3CCN(CC3)C)OC)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=C(C(=C1)/C=C/C(=O)C2=C(C=C(C=C2)O)N3CCN(CC3)C)OC)C(C)(C)C

InChI

InChI=1S/C29H40N2O3/c1-28(2,3)21-17-20(27(34-8)24(18-21)29(4,5)6)9-12-26(33)23-11-10-22(32)19-25(23)31-15-13-30(7)14-16-31/h9-12,17-19,32H,13-16H2,1-8H3/b12-9+